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

Systemtic Name: N-[[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]-2,4-dimethyl-benzamide Openeye Name: N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]-2,4-dimethyl-benzamide CAS Name: N-[[[2-(3-chloro-4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2,4-dimethylbenzamide IUPAC Name: N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2,4-dimethylbenzamide Traditional Name: N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]thiocarbamoyl]-2,4-dimethyl-benzamide Formula: C23H20ClN5OS MolecularWeight: 449.9558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC(=C(C=C4)C)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC(=C(C=C4)C)Cl)C

InChI

InChI=1S/C23H20ClN5OS/c1-13-4-8-18(15(3)10-13)22(30)26-23(31)25-16-6-9-20-21(11-16)28-29(27-20)17-7-5-14(2)19(24)12-17/h4-12H,1-3H3,(H2,25,26,30,31)