1-methyl-N-[2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]pyrrole-2-carboxamide

Systemtic Name: 1-methyl-N-[2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]pyrrole-2-carboxamide Openeye Name: 1-methyl-N-[2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrole-2-carboxamide CAS Name: 1-methyl-N-[2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-N-[2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrole-2-carboxamide Traditional Name: 1-methyl-N-[2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]pyrrole-2-carboxamide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)C3=CC=CN3C)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)C3=CC=CN3C)N4CCCCC4

InChI

InChI=1S/C22H26N6O2S/c1-16-8-10-17(11-9-16)28-21(27-13-4-3-5-14-27)24-25-22(28)31-15-19(29)23-20(30)18-7-6-12-26(18)2/h6-12H,3-5,13-15H2,1-2H3,(H,23,29,30)