N-(2-cyanoethyl)-N-methyl-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-methyl-2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-N-methyl-2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H26N6OS MolecularWeight: 398.52504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(C)CCC#N)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(C)CCC#N)N3CCCCC3

InChI

InChI=1S/C20H26N6OS/c1-16-7-9-17(10-8-16)26-19(25-13-4-3-5-14-25)22-23-20(26)28-15-18(27)24(2)12-6-11-21/h7-10H,3-6,12-15H2,1-2H3