6-ethyl-7-oxidanyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CC=C4)O

InChI

InChI=1S/C20H17N3O3S/c1-2-12-8-15-14(9-18(25)26-17(15)10-16(12)24)11-27-20-21-19(22-23-20)13-6-4-3-5-7-13/h3-10,24H,2,11H2,1H3,(H,21,22,23)