[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] N-cyano-N'-phenyl-carbamimidothioate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]-1-cyano-3-phenyl-isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] N-cyano-N'-phenylcarbamimidothioate Traditional Name: 2-[2-(4-chlorophenyl)-2-keto-ethyl]-1-cyano-3-phenyl-isothiourea Formula: C16H12ClN3OS MolecularWeight: 329.80398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3OS/c17-13-8-6-12(7-9-13)15(21)10-22-16(19-11-18)20-14-4-2-1-3-5-14/h1-9H,10H2,(H,19,20)