S-(phenylmethylsulfanyl) 4-nitrobenzenecarbothioate

Systemtic Name: S-(phenylmethylsulfanyl) 4-nitrobenzenecarbothioate Openeye Name: S-benzylsulfanyl 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-(phenylmethylthio) ester IUPAC Name: S-benzylsulfanyl 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-(benzylthio) ester Formula: C14H11NO3S2 MolecularWeight: 305.37204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO3S2/c16-14(12-6-8-13(9-7-12)15(17)18)20-19-10-11-4-2-1-3-5-11/h1-9H,10H2