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

Systemtic Name: 2-methyl-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3-nitro-benzamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C4=CC=CC=C4

InChI

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