[3-bromanyl-4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate

Systemtic Name: [3-bromanyl-4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3-bromo-4-[[2-(4-methylthiazol-2-yl)sulfanylacetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[[2-[(4-methyl-2-thiazolyl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-bromo-4-[[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[[2-[(4-methylthiazol-2-yl)thio]acetyl]amino]phenyl] ester Formula: C13H10BrN3OS3 MolecularWeight: 400.337

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC(=O)NC2=C(C=C(C=C2)SC#N)Br

Isomeric SMILES

CC1=CSC(=N1)SCC(=O)NC2=C(C=C(C=C2)SC#N)Br

InChI

InChI=1S/C13H10BrN3OS3/c1-8-5-19-13(16-8)20-6-12(18)17-11-3-2-9(21-7-15)4-10(11)14/h2-5H,6H2,1H3,(H,17,18)