[3-bromanyl-4-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanoylamino]phenyl] thiocyanate

Systemtic Name: [3-bromanyl-4-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanoylamino]phenyl] thiocyanate Openeye Name: [3-bromo-4-[[2-(4,5-dihydrothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[[2-(4,5-dihydrothiazol-2-ylthio)-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-bromo-4-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[[2-(2-thiazolin-2-ylthio)acetyl]amino]phenyl] ester Formula: C12H10BrN3OS3 MolecularWeight: 388.3263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCC(=O)NC2=C(C=C(C=C2)SC#N)Br

Isomeric SMILES

C1CSC(=N1)SCC(=O)NC2=C(C=C(C=C2)SC#N)Br

InChI

InChI=1S/C12H10BrN3OS3/c13-9-5-8(20-7-14)1-2-10(9)16-11(17)6-19-12-15-3-4-18-12/h1-2,5H,3-4,6H2,(H,16,17)