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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O3S/c1-16-7-14-15-13(16)20-6-8-4-12(18)19-11-5-9(17)2-3-10(8)11/h2-5,7,17H,6H2,1H3