N-[(E)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methylideneamino]-2-nitro-benzamide

Systemtic Name: N-[(E)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methylideneamino]-2-nitro-benzamide Openeye Name: N-[(E)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methyleneamino]-2-nitro-benzamide CAS Name: N-[(E)-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]methylideneamino]-2-nitrobenzamide IUPAC Name: N-[(E)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]methylideneamino]-2-nitrobenzamide Traditional Name: N-[(E)-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-benzylidene]amino]-2-nitro-benzamide Formula: C18H14N6O5S MolecularWeight: 426.40596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)C=NNC(=O)C3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O5S/c1-22-9-8-19-18(22)30-16-7-6-12(10-15(16)24(28)29)11-20-21-17(25)13-4-2-3-5-14(13)23(26)27/h2-11H,1H3,(H,21,25)/b20-11+