S-(4-methylphenyl) 4-nitrobenzenecarbothioate

Systemtic Name: S-(4-methylphenyl) 4-nitrobenzenecarbothioate Openeye Name: S-(p-tolyl) 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 4-nitrobenzenecarbothioate Traditional Name: 4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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