2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile

Systemtic Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Openeye Name: 2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile CAS Name: 2-[[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]pentanedinitrile IUPAC Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]glutaronitrile Formula: C20H24N6S MolecularWeight: 380.50976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6S/c1-16-7-9-18(10-8-16)26-19(25-12-3-2-4-13-25)23-24-20(26)27-15-17(14-22)6-5-11-21/h7-10,17H,2-6,12-13,15H2,1H3