5-bromanyl-N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[[6-chloro-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]-1-naphthamide Formula: C25H17BrClN5OS MolecularWeight: 550.85738

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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=CC5=C4C=CC=C5Br

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br

InChI

InChI=1S/C25H17BrClN5OS/c1-14-8-10-15(11-9-14)32-30-22-12-20(27)21(13-23(22)31-32)28-25(34)29-24(33)18-6-2-5-17-16(18)4-3-7-19(17)26/h2-13H,1H3,(H2,28,29,33,34)