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

Systemtic Name: 2-[[4-ethyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Openeye Name: 2-[[4-ethyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile CAS Name: 2-[[[4-ethyl-5-[2-(4-methylphenyl)-4-quinolinyl]-1,2,4-triazol-3-yl]thio]methyl]pentanedinitrile IUPAC Name: 2-[[4-ethyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[[4-ethyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]methyl]glutaronitrile Formula: C26H24N6S MolecularWeight: 452.57396

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(CCC#N)C#N)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=NN=C1SCC(CCC#N)C#N)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H24N6S/c1-3-32-25(30-31-26(32)33-17-19(16-28)7-6-14-27)22-15-24(20-12-10-18(2)11-13-20)29-23-9-5-4-8-21(22)23/h4-5,8-13,15,19H,3,6-7,17H2,1-2H3