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

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C22H17ClN6O4S MolecularWeight: 496.92618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN6O4S/c1-12-8-18-19(27-28(26-18)14-6-7-20(33-2)16(23)10-14)11-17(12)24-22(34)25-21(30)13-4-3-5-15(9-13)29(31)32/h3-11H,1-2H3,(H2,24,25,30,34)