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

Systemtic Name: 4-butyl-3-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(2-keto-7-methoxy-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(=C3)OC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

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