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

Systemtic Name: 3-[2-(4-methylphenyl)quinolin-4-yl]-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(3-nitrophenyl)methylsulfanyl]-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-4-amine CAS Name: 3-[2-(4-methylphenyl)-4-quinolinyl]-5-[(3-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(4-methylphenyl)quinolin-4-yl]-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(3-nitrobenzyl)thio]-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-4-yl]amine Formula: C25H20N6O2S MolecularWeight: 468.5303

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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)SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4N)SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H20N6O2S/c1-16-9-11-18(12-10-16)23-14-21(20-7-2-3-8-22(20)27-23)24-28-29-25(30(24)26)34-15-17-5-4-6-19(13-17)31(32)33/h2-14H,15,26H2,1H3