7-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 7-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one Openeye Name: 7-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one CAS Name: 7-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one Traditional Name: 7-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarin Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NN3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NN3

InChI

InChI=1S/C13H11N3O2S/c1-8-2-3-10-9(5-12(17)18-11(10)4-8)6-19-13-14-7-15-16-13/h2-5,7H,6H2,1H3,(H,14,15,16)