4-butyl-3-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)O

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)O

InChI

InChI=1S/C17H19N3O4S/c1-3-4-7-20-16(23)18-19-17(20)25-9-11-8-14(22)24-15-10(2)13(21)6-5-12(11)15/h5-6,8,21H,3-4,7,9H2,1-2H3,(H,18,23)