2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-N-[(4-nitrophenyl)amino]-C-pyridin-3-yl-carbonimidoyl]imino-ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-N-[(4-nitrophenyl)amino]-C-pyridin-3-yl-carbonimidoyl]imino-ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-N-(4-nitroanilino)-C-(3-pyridyl)carbonimidoyl]imino-acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-[(4-nitrophenyl)hydrazinylidene]-(3-pyridinyl)methyl]iminoacetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-N-(4-nitroanilino)-C-pyridin-3-ylcarbonimidoyl]iminoacetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-N-(4-nitroanilino)-C-(3-pyridyl)carbonimidoyl]imino-acetamide Formula: C21H15N7O4S MolecularWeight: 461.4533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)N=NC(=NNC3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)N=N/C(=N/NC3=CC=C(C=C3)[N+](=O)[O-])/C4=CN=CC=C4

InChI

InChI=1S/C21H15N7O4S/c29-19(13-33-21-23-17-5-1-2-6-18(17)32-21)25-27-20(14-4-3-11-22-12-14)26-24-15-7-9-16(10-8-15)28(30)31/h1-12,24H,13H2/b26-20+,27-25?