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

Systemtic Name: N-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-4-methoxy-benzamide Openeye Name: N-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyleneamino]-4-methoxy-benzamide CAS Name: N-[(E)-[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylideneamino]-4-methoxybenzamide IUPAC Name: N-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-4-methoxybenzamide Traditional Name: N-[(E)-[4-[(4-chlorophenyl)thio]-3-nitro-benzylidene]amino]-4-methoxy-benzamide Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O4S/c1-29-17-7-3-15(4-8-17)21(26)24-23-13-14-2-11-20(19(12-14)25(27)28)30-18-9-5-16(22)6-10-18/h2-13H,1H3,(H,24,26)/b23-13+