N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-2-oxidanyl-benzamide

Systemtic Name: N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-2-oxidanyl-benzamide Openeye Name: 2-hydroxy-N-[(E)-[3-nitro-4-(p-tolylsulfanyl)phenyl]methyleneamino]benzamide CAS Name: 2-hydroxy-N-[(E)-[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylideneamino]benzamide IUPAC Name: 2-hydroxy-N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]benzamide Traditional Name: 2-hydroxy-N-[(E)-[3-nitro-4-(p-tolylthio)benzylidene]amino]benzamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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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=C3O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3O)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S/c1-14-6-9-16(10-7-14)29-20-11-8-15(12-18(20)24(27)28)13-22-23-21(26)17-4-2-3-5-19(17)25/h2-13,25H,1H3,(H,23,26)/b22-13+