N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2-(4-chlorophenyl)ethanamide

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2-(4-chlorophenyl)ethanamide Openeye Name: 2-(4-chlorophenyl)-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]acetamide CAS Name: 2-(4-chlorophenyl)-N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenyl)-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-(4-chlorophenyl)-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]acetamide Formula: C21H15Cl2N5OS MolecularWeight: 456.3477

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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)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H15Cl2N5OS/c22-14-8-6-13(7-9-14)10-20(29)25-21(30)24-17-12-19-18(11-16(17)23)26-28(27-19)15-4-2-1-3-5-15/h1-9,11-12H,10H2,(H2,24,25,29,30)