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

Systemtic Name: 5-bromanyl-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-1-naphthamide Formula: C24H15BrClN5OS MolecularWeight: 536.8308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H15BrClN5OS/c25-18-11-5-8-15-16(18)9-4-10-17(15)23(32)28-24(33)27-20-13-22-21(12-19(20)26)29-31(30-22)14-6-2-1-3-7-14/h1-13H,(H2,27,28,32,33)