7-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-4-phenylchromen-2-one

C19H15N3O3S — CID 155533132

IUPAC7-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-4-phenylchromen-2-one
SMILESCn1c(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)n[nH]c1=S
InChIInChI=1S/C19H15N3O3S/c1-22-17(20-21-19(22)26)11-24-13-7-8-14-15(12-5-3-2-4-6-12)10-18(23)25-16(14)9-13/h2-10H,11H2,1H3,(H,21,26)
InChIKeyDALMNDDQUTVKKD-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.83
Rot. Bonds4

About 7-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-4-phenylchromen-2-one

7-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-4-phenylchromen-2-one (PubChem CID 155533132) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 7-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-4-phenylchromen-2-one.

Molecular Properties

Compound Name7-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-4-phenylchromen-2-one
PubChem CID155533132
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name7-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-4-phenylchromen-2-one
SMILESCn1c(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)n[nH]c1=S
InChIInChI=1S/C19H15N3O3S/c1-22-17(20-21-19(22)26)11-24-13-7-8-14-15(12-5-3-2-4-6-12)10-18(23)25-16(14)9-13/h2-10H,11H2,1H3,(H,21,26)
InChIKeyDALMNDDQUTVKKD-UHFFFAOYSA-N
XLogP3.83
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 7-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-4-phenylchromen-2-one 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

7-ethoxy-4-phenylchromen-2-one
CID 678937
7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
CID 701624
(6R)-5-ethoxy-3-methyl-4-[(2-oxo-4-phenylchromen-7-yl)oxymethyl]-6-phenyl-1,6-dihydropyrimidin-2-one
CID 1182472
7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one
CID 5416833
7-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-3-phenyl-4-propylchromen-2-one
CID 10740217
4-[(2-oxo-4-phenylchromen-7-yl)oxymethyl]benzoic acid
CID 989087
tert-butyl 2-(2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988853
3-[(3,4-dichlorophenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
CID 19619420
7-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-8-methyl-4-phenylchromen-2-one
CID 46933329
7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one
CID 6371350
7-[2-(azocan-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
CID 8806120
ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
CID 7996380

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-4-phenylchromen-2-one?
The IUPAC name of 7-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-4-phenylchromen-2-one (CID 155533132) is 7-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-4-phenylchromen-2-one.
What is the SMILES notation for 7-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-4-phenylchromen-2-one?
The canonical SMILES for 7-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-4-phenylchromen-2-one is Cn1c(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)n[nH]c1=S.
What is the InChIKey of 7-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-4-phenylchromen-2-one?
The InChIKey is DALMNDDQUTVKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-22-17(20-21-19(22)26)11-24-13-7-8-14-15(12-5-3-2-4-6-12)10-18(23)25-16(14)9-13/h2-10H,11H2,1H3,(H,21,26).
What are the key properties of 7-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-4-phenylchromen-2-one?
7-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-4-phenylchromen-2-one has a molecular weight of 365.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-4-phenylchromen-2-one is sourced from PubChem (CID 155533132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).