7-methoxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methoxy-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CN1C=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C14H13N3O3S/c1-17-8-15-16-14(17)21-7-9-5-13(18)20-12-6-10(19-2)3-4-11(9)12/h3-6,8H,7H2,1-2H3