3,4-bis(chloranyl)-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 3,4-dichloro-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 3,4-dichloro-N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dichloro-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 3,4-dichloro-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C20H12Cl3N5OS MolecularWeight: 476.76618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H12Cl3N5OS/c21-13-7-6-11(8-14(13)22)19(29)25-20(30)24-16-10-18-17(9-15(16)23)26-28(27-18)12-4-2-1-3-5-12/h1-10H,(H2,24,25,29,30)