S-(4-methylphenyl) N-(4-nitrophenyl)carbamothioate

Systemtic Name: S-(4-methylphenyl) N-(4-nitrophenyl)carbamothioate Openeye Name: S-(p-tolyl) N-(4-nitrophenyl)carbamothioate CAS Name: N-(4-nitrophenyl)carbamothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) N-(4-nitrophenyl)carbamothioate Traditional Name: N-(4-nitrophenyl)thiocarbamic acid S-(p-tolyl) ester Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O3S/c1-10-2-8-13(9-3-10)20-14(17)15-11-4-6-12(7-5-11)16(18)19/h2-9H,1H3,(H,15,17)