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

Systemtic Name: 6,7-dimethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C20H17N3O2S/c1-12-8-16-15(10-18(24)25-17(16)9-13(12)2)11-26-20-21-19(22-23-20)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,21,22,23)