5-bromanyl-N-[(E)-(4-methylphenyl)methylideneamino]-2-[[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylamino]benzamide

Systemtic Name: 5-bromanyl-N-[(E)-(4-methylphenyl)methylideneamino]-2-[[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylamino]benzamide Openeye Name: 5-bromo-N-[(E)-p-tolylmethyleneamino]-2-[[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide CAS Name: 5-bromo-N-[(E)-(4-methylphenyl)methylideneamino]-2-[[oxo-[3-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]amino]benzamide IUPAC Name: 5-bromo-N-[(E)-(4-methylphenyl)methylideneamino]-2-[[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide Traditional Name: 5-bromo-N-[(E)-(4-methylbenzylidene)amino]-2-[[3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]amino]benzamide Formula: C25H21BrN6O2S MolecularWeight: 549.44224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=NNC(=O)C2=C(C=CC(=C2)Br)NC(=O)C3=CC(=CC=C3)CSC4=NC=NN4

Isomeric SMILES

CC1=CC=C(C=C1)/C=N/NC(=O)C2=C(C=CC(=C2)Br)NC(=O)C3=CC(=CC=C3)CSC4=NC=NN4

InChI

InChI=1S/C25H21BrN6O2S/c1-16-5-7-17(8-6-16)13-28-31-24(34)21-12-20(26)9-10-22(21)30-23(33)19-4-2-3-18(11-19)14-35-25-27-15-29-32-25/h2-13,15H,14H2,1H3,(H,30,33)(H,31,34)(H,27,29,32)/b28-13+