cyanomethyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: cyanomethyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate Openeye Name: cyanomethyl 3-nitro-4-(p-tolylsulfanyl)benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(4-methylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(p-tolylthio)benzoic acid cyanomethyl ester Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4S/c1-11-2-5-13(6-3-11)23-15-7-4-12(10-14(15)18(20)21)16(19)22-9-8-17/h2-7,10H,9H2,1H3