8-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 8-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C)C4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C)C4=CC=CC=C4)O

InChI

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