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

Systemtic Name: 3-[2-(4-methylphenyl)quinolin-4-yl]-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-[2-(p-tolyl)-4-quinolyl]-5-[2-(2-pyridyl)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[2-(4-methylphenyl)-4-quinolinyl]-5-[2-(2-pyridinyl)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(4-methylphenyl)quinolin-4-yl]-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-[2-(p-tolyl)-4-quinolyl]-5-[2-(2-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=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4N)SCCC5=CC=CC=N5

InChI

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