2-(4-methylphenyl)-4-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]quinoline

Systemtic Name: 2-(4-methylphenyl)-4-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]quinoline Openeye Name: 4-[4-methyl-5-(3-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-(p-tolyl)quinoline CAS Name: 2-(4-methylphenyl)-4-[4-methyl-5-(3-pyridinylmethylthio)-1,2,4-triazol-3-yl]quinoline IUPAC Name: 2-(4-methylphenyl)-4-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]quinoline Traditional Name: 4-[4-methyl-5-(3-pyridylmethylthio)-1,2,4-triazol-3-yl]-2-(p-tolyl)quinoline Formula: C25H21N5S MolecularWeight: 423.53274

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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)SCC5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4C)SCC5=CN=CC=C5

InChI

InChI=1S/C25H21N5S/c1-17-9-11-19(12-10-17)23-14-21(20-7-3-4-8-22(20)27-23)24-28-29-25(30(24)2)31-16-18-6-5-13-26-15-18/h3-15H,16H2,1-2H3