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

Systemtic Name: 5-chloranyl-2-methoxy-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 5-chloro-2-methoxy-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 5-chloro-2-methoxy-N-[[[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-chloro-2-methoxy-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 5-chloro-2-methoxy-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C23H20ClN5O2S MolecularWeight: 465.9552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=C(C=CC(=C4)Cl)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=C(C=CC(=C4)Cl)OC)C

InChI

InChI=1S/C23H20ClN5O2S/c1-13-4-7-16(8-5-13)29-27-19-10-14(2)18(12-20(19)28-29)25-23(32)26-22(30)17-11-15(24)6-9-21(17)31-3/h4-12H,1-3H3,(H2,25,26,30,32)