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

Systemtic Name: 4-methoxy-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C23H20N6O4S MolecularWeight: 476.5077

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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)OC)[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)OC)[N+](=O)[O-])C

InChI

InChI=1S/C23H20N6O4S/c1-13-4-7-16(8-5-13)28-26-18-10-14(2)17(12-19(18)27-28)24-23(34)25-22(30)15-6-9-21(33-3)20(11-15)29(31)32/h4-12H,1-3H3,(H2,24,25,30,34)