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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H15Cl2N5OS/c1-12-7-8-14(15(22)9-12)20(29)25-21(30)24-17-11-19-18(10-16(17)23)26-28(27-19)13-5-3-2-4-6-13/h2-11H,1H3,(H2,24,25,29,30)