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

Systemtic Name: 4-butyl-3-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S/c1-2-3-6-19-15(22)17-18-16(19)24-9-10-7-14(21)23-13-8-11(20)4-5-12(10)13/h4-5,7-8,20H,2-3,6,9H2,1H3,(H,17,22)