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

Systemtic Name: 3-[[4-methyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-methyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-methyl-5-[2-(4-methylphenyl)-4-quinolinyl]-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-methyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-methyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]propionitrile Formula: C22H19N5S MolecularWeight: 385.48476

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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)SCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5S/c1-15-8-10-16(11-9-15)20-14-18(17-6-3-4-7-19(17)24-20)21-25-26-22(27(21)2)28-13-5-12-23/h3-4,6-11,14H,5,13H2,1-2H3