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

Systemtic Name: N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]-4-nitro-benzamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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

InChI

InChI=1S/C22H18N6O3S/c1-13-3-7-16(8-4-13)27-25-19-11-14(2)18(12-20(19)26-27)23-22(32)24-21(29)15-5-9-17(10-6-15)28(30)31/h3-12H,1-2H3,(H2,23,24,29,32)