(4-chlorophenyl)sulfanylmethyl (NE,1E)-N-[(3-nitro-4-phenylsulfanyl-phenyl)methylidene]methanehydrazonate

Systemtic Name: (4-chlorophenyl)sulfanylmethyl (NE,1E)-N-[(3-nitro-4-phenylsulfanyl-phenyl)methylidene]methanehydrazonate Openeye Name: (4-chlorophenyl)sulfanylmethyl (NE,1E)-N-[(3-nitro-4-phenylsulfanyl-phenyl)methylene]methanehydrazonate CAS Name: (NE,1E)-N-[[3-nitro-4-(phenylthio)phenyl]methylidene]methanehydrazonic acid [(4-chlorophenyl)thio]methyl ester IUPAC Name: (4-chlorophenyl)sulfanylmethyl (NE,1E)-N-[(3-nitro-4-phenylsulfanylphenyl)methylidene]methanehydrazonate Traditional Name: (NE,1E)-N-[3-nitro-4-(phenylthio)benzylidene]formohydrazonic acid [(4-chlorophenyl)thio]methyl ester Formula: C21H16ClN3O3S2 MolecularWeight: 457.95304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NN=COCSC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=N/N=C/OCSC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O3S2/c22-17-7-9-18(10-8-17)29-15-28-14-24-23-13-16-6-11-21(20(12-16)25(26)27)30-19-4-2-1-3-5-19/h1-14H,15H2/b23-13+,24-14+