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

Systemtic Name: 3-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=C(N(C(=C2)C)C(C)C)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=C(N(C(=C2)C)C(C)C)C

InChI

InChI=1S/C16H24N4O2S/c1-6-7-19-15(22)17-18-16(19)23-9-14(21)13-8-11(4)20(10(2)3)12(13)5/h8,10H,6-7,9H2,1-5H3,(H,17,22)