4-butyl-3-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(2-keto-6,7-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=CC(=C(C=C23)C)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

InChI=1S/C18H21N3O3S/c1-4-5-6-21-17(23)19-20-18(21)25-10-13-9-16(22)24-15-8-12(3)11(2)7-14(13)15/h7-9H,4-6,10H2,1-3H3,(H,19,23)