S-(phenylmethyl) N-(2-chloranyl-5-nitro-phenyl)carbamothioate

Systemtic Name: S-(phenylmethyl) N-(2-chloranyl-5-nitro-phenyl)carbamothioate Openeye Name: S-benzyl N-(2-chloro-5-nitro-phenyl)carbamothioate CAS Name: N-(2-chloro-5-nitrophenyl)carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-(2-chloro-5-nitrophenyl)carbamothioate Traditional Name: N-(2-chloro-5-nitro-phenyl)thiocarbamic acid S-benzyl ester Formula: C14H11ClN2O3S MolecularWeight: 322.76674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H11ClN2O3S/c15-12-7-6-11(17(19)20)8-13(12)16-14(18)21-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)