(Z)-2-azanyl-3-[(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)methylideneamino]but-2-enedinitrile

Systemtic Name: (Z)-2-azanyl-3-[(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)methylideneamino]but-2-enedinitrile Openeye Name: (Z)-2-amino-3-[[5-nitro-2-(2-pyridylsulfanyl)phenyl]methyleneamino]but-2-enedinitrile CAS Name: (Z)-2-amino-3-[[5-nitro-2-(2-pyridinylthio)phenyl]methylideneamino]-2-butenedinitrile IUPAC Name: (Z)-2-amino-3-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylideneamino]but-2-enedinitrile Traditional Name: (Z)-2-amino-3-[[5-nitro-2-(2-pyridylthio)benzylidene]amino]but-2-enedinitrile Formula: C16H10N6O2S MolecularWeight: 350.3546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=NC(=C(C#N)N)C#N

Isomeric SMILES

C1=CC=NC(=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=N/C(=C(/C#N)\N)/C#N

InChI

InChI=1S/C16H10N6O2S/c17-8-13(19)14(9-18)21-10-11-7-12(22(23)24)4-5-15(11)25-16-3-1-2-6-20-16/h1-7,10H,19H2/b14-13-,21-10?