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

Systemtic Name: 2-(4-chlorophenyl)-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-(4-chlorophenyl)-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]acetamide CAS Name: 2-(4-chlorophenyl)-N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenyl)-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-(4-chlorophenyl)-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]acetamide Formula: C22H18ClN5OS MolecularWeight: 435.92922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H18ClN5OS/c1-14-11-19-20(27-28(26-19)17-5-3-2-4-6-17)13-18(14)24-22(30)25-21(29)12-15-7-9-16(23)10-8-15/h2-11,13H,12H2,1H3,(H2,24,25,29,30)