3-[2-(4-methylphenyl)quinolin-4-yl]-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[2-(4-methylphenyl)quinolin-4-yl]-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-[2-(p-tolyl)-4-quinolyl]-5-[2-(4-pyridyl)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[2-(4-methylphenyl)-4-quinolinyl]-5-(2-pyridin-4-ylethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(4-methylphenyl)quinolin-4-yl]-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-[2-(p-tolyl)-4-quinolyl]-5-[2-(4-pyridyl)ethylthio]-1,2,4-triazol-4-yl]amine Formula: C25H22N6S MolecularWeight: 438.54738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4N)SCCC5=CC=NC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4N)SCCC5=CC=NC=C5

InChI

InChI=1S/C25H22N6S/c1-17-6-8-19(9-7-17)23-16-21(20-4-2-3-5-22(20)28-23)24-29-30-25(31(24)26)32-15-12-18-10-13-27-14-11-18/h2-11,13-14,16H,12,15,26H2,1H3