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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-N-[(4-bromophenyl)amino]-C-pyridin-3-yl-carbonimidoyl]imino-ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-N-(4-bromoanilino)-C-(3-pyridyl)carbonimidoyl]imino-acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-[(4-bromophenyl)hydrazinylidene]-(3-pyridinyl)methyl]iminoacetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-N-(4-bromoanilino)-C-pyridin-3-ylcarbonimidoyl]iminoacetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-N-(4-bromoanilino)-C-(3-pyridyl)carbonimidoyl]imino-acetamide Formula: C21H15BrN6O2S MolecularWeight: 495.3518

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)Br)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)N=N/C(=N/NC3=CC=C(C=C3)Br)/C4=CN=CC=C4

InChI

InChI=1S/C21H15BrN6O2S/c22-15-7-9-16(10-8-15)25-27-20(14-4-3-11-23-12-14)28-26-19(29)13-31-21-24-17-5-1-2-6-18(17)30-21/h1-12,25H,13H2/b27-20+,28-26?