S-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] benzenecarbothioate

Systemtic Name: S-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] benzenecarbothioate Openeye Name: S-[2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: S-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C16H11ClN2O2S MolecularWeight: 330.78874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC(=O)NC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC(=O)NC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C16H11ClN2O2S/c17-13-7-6-12(9-18)14(8-13)19-15(20)10-22-16(21)11-4-2-1-3-5-11/h1-8H,10H2,(H,19,20)