N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-3-nitro-benzamide

Systemtic Name: N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-3-nitro-benzamide Openeye Name: 3-nitro-N-[(E)-[3-nitro-4-(p-tolylsulfanyl)phenyl]methyleneamino]benzamide CAS Name: N-[(E)-[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylideneamino]-3-nitrobenzamide IUPAC Name: N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]-3-nitrobenzamide Traditional Name: 3-nitro-N-[(E)-[3-nitro-4-(p-tolylthio)benzylidene]amino]benzamide Formula: C21H16N4O5S MolecularWeight: 436.44054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5S/c1-14-5-8-18(9-6-14)31-20-10-7-15(11-19(20)25(29)30)13-22-23-21(26)16-3-2-4-17(12-16)24(27)28/h2-13H,1H3,(H,23,26)/b22-13+