2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-N-[(4-bromophenyl)amino]-C-pyridin-3-yl-carbonimidoyl]imino-ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-N-[(4-bromophenyl)amino]-C-pyridin-3-yl-carbonimidoyl]imino-ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-N-(4-bromoanilino)-C-(3-pyridyl)carbonimidoyl]imino-acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-[(4-bromophenyl)hydrazinylidene]-(3-pyridinyl)methyl]iminoacetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-N-(4-bromoanilino)-C-pyridin-3-ylcarbonimidoyl]iminoacetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-N-(4-bromoanilino)-C-(3-pyridyl)carbonimidoyl]imino-acetamide Formula: C21H16BrN7OS MolecularWeight: 494.36704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)N=NC(=NNC3=CC=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)N=N/C(=N/NC3=CC=C(C=C3)Br)/C4=CN=CC=C4

InChI

InChI=1S/C21H16BrN7OS/c22-15-7-9-16(10-8-15)26-28-20(14-4-3-11-23-12-14)29-27-19(30)13-31-21-24-17-5-1-2-6-18(17)25-21/h1-12,26H,13H2,(H,24,25)/b28-20+,29-27?