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

Systemtic Name: 4-[(E)-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[[2-[(4-nitrobenzyl)thio]acetyl]hydrazono]methyl]benzoic acid Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)NN=CC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)N/N=C/C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5S/c21-16(11-26-10-13-3-7-15(8-4-13)20(24)25)19-18-9-12-1-5-14(6-2-12)17(22)23/h1-9H,10-11H2,(H,19,21)(H,22,23)/b18-9+