4-butyl-3-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C16H22N4O3S/c1-5-6-7-20-15(23)18-19-16(20)24-8-12(22)14-9(2)13(11(4)21)10(3)17-14/h17H,5-8H2,1-4H3,(H,18,23)