S-(4-methylphenyl) 3-nitrobenzenecarbothioate

Systemtic Name: S-(4-methylphenyl) 3-nitrobenzenecarbothioate Openeye Name: S-(p-tolyl) 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-(p-tolyl) ester Formula: C14H11NO3S MolecularWeight: 273.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO3S/c1-10-5-7-13(8-6-10)19-14(16)11-3-2-4-12(9-11)15(17)18/h2-9H,1H3