4-[4-chloro-5-[6-[5-[4-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(4-chloro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[3,7-dichloro-6-[5-[7-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole

C108H60Cl8N8S20 — CID 160777977

IUPAC4-[4-chloro-5-[6-[5-[4-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(4-chloro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[3,7-dichloro-6-[5-[7-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole
SMILESCc1ccc(-c2ccc(-c3ccc(-c4sc5c(C)c6c(Cl)c(-c7ccc(-c8ccc(-c9ccc(-c%10sc%11c(C)c%12c(Cl)c(C)sc%12c(C)c%11c%10Cl)s9)c9nsnc89)s7)sc6c(C)c5c4Cl)s3)c3nsnc23)s1.Cc1sc(-c2ccc(-c3cc(Cl)c(-c4cc5c(C)c6sc(-c7ccc(-c8ccc(-c9ccc(-c%10sc%11c(C)c%12c(Cl)c(C)sc%12c(C)c%11c%10Cl)s9)c9nsnc89)s7)cc6c(C)c5s4)s3)c3nsnc23)cc1Cl
InChIInChI=1S/2C54H30Cl4N4S10/c1-19-7-12-29(63-19)25-8-9-26(45-44(25)59-71-60-45)30-13-17-34(65-30)53-42(57)38-22(4)51-39(23(5)50(38)69-53)43(58)54(70-51)35-18-15-32(67-35)28-11-10-27(46-47(28)62-72-61-46)31-14-16-33(66-31)52-41(56)37-21(3)48-36(20(2)49(37)68-52)40(55)24(6)64-48;1-19-29-15-39(68-49(29)20(2)30-16-40(69-50(19)30)53-32(56)18-38(67-53)28-10-9-27(47-48(28)62-72-61-47)37-17-31(55)23(5)63-37)35-13-11-33(65-35)25-7-8-26(46-45(25)59-71-60-46)34-12-14-36(66-34)54-44(58)42-22(4)51-41(21(3)52(42)70-54)43(57)24(6)64-51/h2*7-18H,1-6H3
InChIKeySAEWRCONSZWQQY-UHFFFAOYSA-N
MW2394.69 g/mol
LogP45.87
Rot. Bonds14

About 4-[4-chloro-5-[6-[5-[4-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(4-chloro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[3,7-dichloro-6-[5-[7-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole

4-[4-chloro-5-[6-[5-[4-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(4-chloro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[3,7-dichloro-6-[5-[7-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole (PubChem CID 160777977) has the molecular formula C108H60Cl8N8S20 and a molecular weight of 2394.69 g/mol. Its IUPAC name is 4-[4-chloro-5-[6-[5-[4-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(4-chloro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[3,7-dichloro-6-[5-[7-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-[4-chloro-5-[6-[5-[4-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(4-chloro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[3,7-dichloro-6-[5-[7-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole
PubChem CID160777977
Molecular FormulaC108H60Cl8N8S20
Molecular Weight2394.69 g/mol
Exact Mass2387.69
IUPAC Name4-[4-chloro-5-[6-[5-[4-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(4-chloro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[3,7-dichloro-6-[5-[7-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole
SMILESCc1ccc(-c2ccc(-c3ccc(-c4sc5c(C)c6c(Cl)c(-c7ccc(-c8ccc(-c9ccc(-c%10sc%11c(C)c%12c(Cl)c(C)sc%12c(C)c%11c%10Cl)s9)c9nsnc89)s7)sc6c(C)c5c4Cl)s3)c3nsnc23)s1.Cc1sc(-c2ccc(-c3cc(Cl)c(-c4cc5c(C)c6sc(-c7ccc(-c8ccc(-c9ccc(-c%10sc%11c(C)c%12c(Cl)c(C)sc%12c(C)c%11c%10Cl)s9)c9nsnc89)s7)cc6c(C)c5s4)s3)c3nsnc23)cc1Cl
InChIInChI=1S/2C54H30Cl4N4S10/c1-19-7-12-29(63-19)25-8-9-26(45-44(25)59-71-60-45)30-13-17-34(65-30)53-42(57)38-22(4)51-39(23(5)50(38)69-53)43(58)54(70-51)35-18-15-32(67-35)28-11-10-27(46-47(28)62-72-61-46)31-14-16-33(66-31)52-41(56)37-21(3)48-36(20(2)49(37)68-52)40(55)24(6)64-48;1-19-29-15-39(68-49(29)20(2)30-16-40(69-50(19)30)53-32(56)18-38(67-53)28-10-9-27(47-48(28)62-72-61-47)37-17-31(55)23(5)63-37)35-13-11-33(65-35)25-7-8-26(46-45(25)59-71-60-46)34-12-14-36(66-34)54-44(58)42-22(4)51-41(21(3)52(42)70-54)43(57)24(6)64-51/h2*7-18H,1-6H3
InChIKeySAEWRCONSZWQQY-UHFFFAOYSA-N
XLogP45.87
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds14
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002394.69
LogP ≤ 545.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 4-[4-chloro-5-[6-[5-[4-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(4-chloro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[3,7-dichloro-6-[5-[7-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole with MolForge

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Related Compounds

4,7-bis[5-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole
CID 164763916
7-[5-[4,8-bis(4,5-dimethylthiophen-2-yl)-6-[5-[5-fluoro-4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]-3-methylthiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]-4-methylthiophen-2-yl]-4-[5-[4,8-bis(4,5-dimethylthiophen-2-yl)-6-methylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-5-fluoro-2,1,3-benzothiadiazole
CID 159206420
4-[5-(4,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]-7-methyl-2,1,3-benzothiadiazole
CID 164763910
7-methyl-4-[5-(7-methyl-2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]-2,1,3-benzothiadiazole
CID 129180998
4-[5-[4,8-bis(2-hexyldecoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-[5-[2-[3-dodecyl-5-[7-(4-dodecyl-5-methylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-bis(2-hexyldecoxy)thieno[2,3-f][1]benzothiol-6-yl]thiophen-2-yl]-2,1,3-benzothiadiazole
CID 170253329
12,14-dimethyl-4-(5-methylthiophen-2-yl)-3,13-dithiahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1(18),2(6),4,7(19),8,10(20),11,14,16-nonaene
CID 58106450
4-(5-ethylthiophen-2-yl)-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 169075394
4-(4,5-dimethylthiophen-2-yl)-7-methyl-2,1,3-benzothiadiazole
CID 164763911
4-(4-hexyl-5-methylthiophen-2-yl)-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 147935099
4,7-bis[5-(2-methylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole
CID 58610797
5-(5-methylthiophen-2-yl)-10-(5-prop-1-ynylthiophen-2-yl)-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole
CID 166512357
7-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]-4-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]-2,1,3-benzothiadiazole
CID 130222216

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-5-[6-[5-[4-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(4-chloro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[3,7-dichloro-6-[5-[7-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole?
The IUPAC name of 4-[4-chloro-5-[6-[5-[4-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(4-chloro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[3,7-dichloro-6-[5-[7-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole (CID 160777977) is 4-[4-chloro-5-[6-[5-[4-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(4-chloro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[3,7-dichloro-6-[5-[7-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-[4-chloro-5-[6-[5-[4-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(4-chloro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[3,7-dichloro-6-[5-[7-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole?
The canonical SMILES for 4-[4-chloro-5-[6-[5-[4-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(4-chloro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[3,7-dichloro-6-[5-[7-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole is Cc1ccc(-c2ccc(-c3ccc(-c4sc5c(C)c6c(Cl)c(-c7ccc(-c8ccc(-c9ccc(-c%10sc%11c(C)c%12c(Cl)c(C)sc%12c(C)c%11c%10Cl)s9)c9nsnc89)s7)sc6c(C)c5c4Cl)s3)c3nsnc23)s1.Cc1sc(-c2ccc(-c3cc(Cl)c(-c4cc5c(C)c6sc(-c7ccc(-c8ccc(-c9ccc(-c%10sc%11c(C)c%12c(Cl)c(C)sc%12c(C)c%11c%10Cl)s9)c9nsnc89)s7)cc6c(C)c5s4)s3)c3nsnc23)cc1Cl.
What is the InChIKey of 4-[4-chloro-5-[6-[5-[4-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(4-chloro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[3,7-dichloro-6-[5-[7-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole?
The InChIKey is SAEWRCONSZWQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H30Cl4N4S10/c1-19-7-12-29(63-19)25-8-9-26(45-44(25)59-71-60-45)30-13-17-34(65-30)53-42(57)38-22(4)51-39(23(5)50(38)69-53)43(58)54(70-51)35-18-15-32(67-35)28-11-10-27(46-47(28)62-72-61-46)31-14-16-33(66-31)52-41(56)37-21(3)48-36(20(2)49(37)68-52)40(55)24(6)64-48;1-19-29-15-39(68-49(29)20(2)30-16-40(69-50(19)30)53-32(56)18-38(67-53)28-10-9-27(47-48(28)62-72-61-47)37-17-31(55)23(5)63-37)35-13-11-33(65-35)25-7-8-26(46-45(25)59-71-60-46)34-12-14-36(66-34)54-44(58)42-22(4)51-41(21(3)52(42)70-54)43(57)24(6)64-51/h2*7-18H,1-6H3.
What are the key properties of 4-[4-chloro-5-[6-[5-[4-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(4-chloro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[3,7-dichloro-6-[5-[7-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole?
4-[4-chloro-5-[6-[5-[4-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(4-chloro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[3,7-dichloro-6-[5-[7-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole has a molecular weight of 2394.69 g/mol, XLogP of 45.87, 14 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-5-[6-[5-[4-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(4-chloro-5-methylthiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[3,7-dichloro-6-[5-[7-[5-(3,7-dichloro-4,6,8-trimethylthieno[2,3-f][1]benzothiol-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-4,8-dimethylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole is sourced from PubChem (CID 160777977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).