2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-pyrrolidin-1-ylcarbonylpiperidin-1-yl)ethanone

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-pyrrolidin-1-ylcarbonylpiperidin-1-yl)ethanone Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-[4-(pyrrolidine-1-carbonyl)-1-piperidyl]ethanone CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidinyl]ethanone IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-[4-(pyrrolidine-1-carbonyl)piperidino]ethanone Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCC(CC3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCC(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C21H27N5O2S/c1-15-5-4-6-17(13-15)19-22-23-21(29)26(19)14-18(27)24-11-7-16(8-12-24)20(28)25-9-2-3-10-25/h4-6,13,16H,2-3,7-12,14H2,1H3,(H,23,29)