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

Systemtic Name: 4-butyl-3-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-4-5-8-21-17(23)19-20-18(21)25-10-13-9-15(22)24-16-12(3)11(2)6-7-14(13)16/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,23)