S-(2-methylphenyl) N-(2-chloranyl-4-nitro-phenyl)carbamothioate

Systemtic Name: S-(2-methylphenyl) N-(2-chloranyl-4-nitro-phenyl)carbamothioate Openeye Name: S-(o-tolyl) N-(2-chloro-4-nitro-phenyl)carbamothioate CAS Name: N-(2-chloro-4-nitrophenyl)carbamothioic acid S-(2-methylphenyl) ester IUPAC Name: S-(2-methylphenyl) N-(2-chloro-4-nitrophenyl)carbamothioate Traditional Name: N-(2-chloro-4-nitro-phenyl)thiocarbamic acid S-(o-tolyl) ester Formula: C14H11ClN2O3S MolecularWeight: 322.76674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1SC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H11ClN2O3S/c1-9-4-2-3-5-13(9)21-14(18)16-12-7-6-10(17(19)20)8-11(12)15/h2-8H,1H3,(H,16,18)