2-[[4-methyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-methyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-methyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-methyl-5-[2-(4-methylphenyl)-4-quinolinyl]-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-methyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-methyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C21H17N5S MolecularWeight: 371.45818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4C)SCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4C)SCC#N

InChI

InChI=1S/C21H17N5S/c1-14-7-9-15(10-8-14)19-13-17(16-5-3-4-6-18(16)23-19)20-24-25-21(26(20)2)27-12-11-22/h3-10,13H,12H2,1-2H3