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

Systemtic Name: [3-bromanyl-4-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3-bromo-4-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[[2-[(4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-bromo-4-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[[2-[(4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]phenyl] ester Formula: C13H12BrN5OS2 MolecularWeight: 398.30128

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)SC#N)Br

Isomeric SMILES

CCN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)SC#N)Br

InChI

InChI=1S/C13H12BrN5OS2/c1-2-19-8-16-18-13(19)21-6-12(20)17-11-4-3-9(22-7-15)5-10(11)14/h3-5,8H,2,6H2,1H3,(H,17,20)