[3-bromanyl-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate

Systemtic Name: [3-bromanyl-4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3-bromo-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-bromo-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]phenyl] ester Formula: C12H9BrN4OS3 MolecularWeight: 401.32506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC(=O)NC2=C(C=C(C=C2)SC#N)Br

Isomeric SMILES

CC1=NN=C(S1)SCC(=O)NC2=C(C=C(C=C2)SC#N)Br

InChI

InChI=1S/C12H9BrN4OS3/c1-7-16-17-12(21-7)19-5-11(18)15-10-3-2-8(20-6-14)4-9(10)13/h2-4H,5H2,1H3,(H,15,18)