N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-4-ethyl-benzamide

Systemtic Name: N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[[6-chloro-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]-4-ethyl-benzamide Formula: C23H20ClN5OS MolecularWeight: 449.9558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=C(C=C4)C

InChI

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