[2-(4-bromophenyl)-2-oxidanylidene-ethyl] (E)-3-azanyl-2-cyano-N-phenyl-but-2-enimidothioate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] (E)-3-azanyl-2-cyano-N-phenyl-but-2-enimidothioate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] (E)-3-amino-2-cyano-N-phenyl-but-2-enimidothioate CAS Name: (E)-3-amino-2-cyano-N-phenyl-2-butenimidothioic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (E)-3-amino-2-cyano-N-phenylbut-2-enimidothioate Traditional Name: (E)-3-amino-2-cyano-N-phenyl-but-2-enimidothioic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C19H16BrN3OS MolecularWeight: 414.31884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=NC1=CC=CC=C1)SCC(=O)C2=CC=C(C=C2)Br)N

Isomeric SMILES

C/C(=C(/C#N)\C(=NC1=CC=CC=C1)SCC(=O)C2=CC=C(C=C2)Br)/N

InChI

InChI=1S/C19H16BrN3OS/c1-13(22)17(11-21)19(23-16-5-3-2-4-6-16)25-12-18(24)14-7-9-15(20)10-8-14/h2-10H,12,22H2,1H3/b17-13+,23-19?