[2-(4-bromophenyl)-2-oxidanylidene-ethyl] N-cyano-N'-prop-2-enyl-carbamimidothioate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] N-cyano-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-2-[2-(4-bromophenyl)-2-oxo-ethyl]-1-cyano-isothiourea CAS Name: N-cyano-N'-prop-2-enylcarbamimidothioic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] N-cyano-N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-2-[2-(4-bromophenyl)-2-keto-ethyl]-1-cyano-isothiourea Formula: C13H12BrN3OS MolecularWeight: 338.22288

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(NC#N)SCC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

C=CCN=C(NC#N)SCC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C13H12BrN3OS/c1-2-7-16-13(17-9-15)19-8-12(18)10-3-5-11(14)6-4-10/h2-6H,1,7-8H2,(H,16,17)