3,5-bis(chloranyl)-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 3,5-bis(chloranyl)-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 3,5-dichloro-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2-methoxy-benzamide CAS Name: 3,5-dichloro-N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 3,5-dichloro-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-2-methoxybenzamide Traditional Name: 3,5-dichloro-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-2-methoxy-benzamide Formula: C21H14Cl3N5O2S MolecularWeight: 506.79216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4)Cl)Cl

InChI

InChI=1S/C21H14Cl3N5O2S/c1-31-19-13(7-11(22)8-15(19)24)20(30)26-21(32)25-16-10-18-17(9-14(16)23)27-29(28-18)12-5-3-2-4-6-12/h2-10H,1H3,(H2,25,26,30,32)