4-methyl-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[[[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C23H20N6O3S MolecularWeight: 460.5083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])C

InChI

InChI=1S/C23H20N6O3S/c1-13-4-8-17(9-5-13)28-26-19-10-15(3)18(12-20(19)27-28)24-23(33)25-22(30)16-7-6-14(2)21(11-16)29(31)32/h4-12H,1-3H3,(H2,24,25,30,33)