methyl 4-[(E)-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[[2-[(4-nitrobenzyl)thio]acetyl]hydrazono]methyl]benzoic acid methyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S/c1-26-18(23)15-6-2-13(3-7-15)10-19-20-17(22)12-27-11-14-4-8-16(9-5-14)21(24)25/h2-10H,11-12H2,1H3,(H,20,22)/b19-10+