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

Systemtic Name: 4-butyl-3-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=C(N(C(=C2)C)CC=C)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=C(N(C(=C2)C)CC=C)C

InChI

InChI=1S/C17H24N4O2S/c1-5-7-9-21-16(23)18-19-17(21)24-11-15(22)14-10-12(3)20(8-6-2)13(14)4/h6,10H,2,5,7-9,11H2,1,3-4H3,(H,18,23)