4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-[(E)-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]benzohydrazide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-[(E)-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]benzohydrazide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-[(E)-(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzohydrazide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N'-[(E)-(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzohydrazide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-[(E)-(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzohydrazide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N'-[(E)-(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]benzohydrazide Formula: C23H19BrN4O3S MolecularWeight: 511.39096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)C=C(C1=O)Br

Isomeric SMILES

COC1=C/C(=C\NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)/C=C(C1=O)Br

InChI

InChI=1S/C23H19BrN4O3S/c1-31-20-11-15(10-17(24)21(20)29)12-25-28-22(30)16-8-6-14(7-9-16)13-32-23-26-18-4-2-3-5-19(18)27-23/h2-12,25H,13H2,1H3,(H,26,27)(H,28,30)/b15-12-