3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-cyclopropyl-4-ethyl-1,2,4-triazole

C20H20ClN3S — CID 41138558

IUPAC3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-cyclopropyl-4-ethyl-1,2,4-triazole
SMILESCCn1c(S[C@H](c2ccccc2)c2ccc(Cl)cc2)nnc1C1CC1
InChIInChI=1S/C20H20ClN3S/c1-2-24-19(16-8-9-16)22-23-20(24)25-18(14-6-4-3-5-7-14)15-10-12-17(21)13-11-15/h3-7,10-13,16,18H,2,8-9H2,1H3/t18-/m1/s1
InChIKeyYESOISDXQUKEGS-GOSISDBHSA-N
MW369.92 g/mol
LogP5.71
Rot. Bonds6

About 3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-cyclopropyl-4-ethyl-1,2,4-triazole

3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-cyclopropyl-4-ethyl-1,2,4-triazole (PubChem CID 41138558) has the molecular formula C20H20ClN3S and a molecular weight of 369.92 g/mol. Its IUPAC name is 3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-cyclopropyl-4-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-cyclopropyl-4-ethyl-1,2,4-triazole
PubChem CID41138558
Molecular FormulaC20H20ClN3S
Molecular Weight369.92 g/mol
Exact Mass369.11
IUPAC Name3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-cyclopropyl-4-ethyl-1,2,4-triazole
SMILESCCn1c(S[C@H](c2ccccc2)c2ccc(Cl)cc2)nnc1C1CC1
InChIInChI=1S/C20H20ClN3S/c1-2-24-19(16-8-9-16)22-23-20(24)25-18(14-6-4-3-5-7-14)15-10-12-17(21)13-11-15/h3-7,10-13,16,18H,2,8-9H2,1H3/t18-/m1/s1
InChIKeyYESOISDXQUKEGS-GOSISDBHSA-N
XLogP5.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.92
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-cyclopropyl-4-ethyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanyl-4-cyclopropyl-5-methyl-1,2,4-triazole
CID 8723210
3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-4-cyclopropyl-5-methyl-1,2,4-triazole
CID 17490022
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 8723737
1-benzyl-5-chloro-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole
CID 24675307
(2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-2-phenylbutyl]propanamide
CID 8724345
3-[2-(4-chlorophenoxy)ethylsulfanyl]-5-cyclohexyl-4-ethyl-1,2,4-triazole
CID 21373916
3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-4,5-dimethyl-1,2,4-triazole
CID 7872304
4-(5-benzhydrylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)pyridine
CID 55357059
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione
CID 17446894
N-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 17404002
(2R)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)propanamide
CID 8723807
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 9451251

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-cyclopropyl-4-ethyl-1,2,4-triazole?
The IUPAC name of 3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-cyclopropyl-4-ethyl-1,2,4-triazole (CID 41138558) is 3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-cyclopropyl-4-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-cyclopropyl-4-ethyl-1,2,4-triazole?
The canonical SMILES for 3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-cyclopropyl-4-ethyl-1,2,4-triazole is CCn1c(S[C@H](c2ccccc2)c2ccc(Cl)cc2)nnc1C1CC1.
What is the InChIKey of 3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-cyclopropyl-4-ethyl-1,2,4-triazole?
The InChIKey is YESOISDXQUKEGS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20ClN3S/c1-2-24-19(16-8-9-16)22-23-20(24)25-18(14-6-4-3-5-7-14)15-10-12-17(21)13-11-15/h3-7,10-13,16,18H,2,8-9H2,1H3/t18-/m1/s1.
What are the key properties of 3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-cyclopropyl-4-ethyl-1,2,4-triazole?
3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-cyclopropyl-4-ethyl-1,2,4-triazole has a molecular weight of 369.92 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-5-cyclopropyl-4-ethyl-1,2,4-triazole is sourced from PubChem (CID 41138558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).