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

Systemtic Name: 3-bromanyl-N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[[6-chloro-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]-4-methoxy-benzamide Formula: C22H17BrClN5O2S MolecularWeight: 530.82468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrClN5O2S/c1-12-3-6-14(7-4-12)29-27-18-10-16(24)17(11-19(18)28-29)25-22(32)26-21(30)13-5-8-20(31-2)15(23)9-13/h3-11H,1-2H3,(H2,25,26,30,32)