2-(2-methylphenyl)-4-[[(4-nitrophenyl)methylamino]-(1,3-thiazol-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-(2-methylphenyl)-4-[[(4-nitrophenyl)methylamino]-(1,3-thiazol-5-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[(4-nitrophenyl)methylamino]-thiazol-5-yl-methyl]-2-(o-tolyl)benzonitrile CAS Name: 2-(2-methylphenyl)-4-[[(4-nitrophenyl)methylamino]-(5-thiazolyl)methyl]benzonitrile IUPAC Name: 2-(2-methylphenyl)-4-[[(4-nitrophenyl)methylamino]-(1,3-thiazol-5-yl)methyl]benzonitrile Traditional Name: 4-[[(4-nitrobenzyl)amino]-thiazol-5-yl-methyl]-2-(o-tolyl)benzonitrile Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=CS3)NCC4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=CS3)NCC4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C25H20N4O2S/c1-17-4-2-3-5-22(17)23-12-19(8-9-20(23)13-26)25(24-15-27-16-32-24)28-14-18-6-10-21(11-7-18)29(30)31/h2-12,15-16,25,28H,14H2,1H3