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

Systemtic Name: [3-bromanyl-4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3-bromo-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-bromo-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]phenyl] ester Formula: C12H10BrN5OS2 MolecularWeight: 384.2747

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)SC#N)Br

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)SC#N)Br

InChI

InChI=1S/C12H10BrN5OS2/c1-18-7-15-17-12(18)20-5-11(19)16-10-3-2-8(21-6-14)4-9(10)13/h2-4,7H,5H2,1H3,(H,16,19)