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

Systemtic Name: [3-bromanyl-4-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3-bromo-4-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]phenyl] ester IUPAC Name: [3-bromo-4-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]phenyl] ester Formula: C14H14BrN5OS2 MolecularWeight: 412.32786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)SC#N)Br

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)SC#N)Br

InChI

InChI=1S/C14H14BrN5OS2/c1-9(2)20-8-17-19-14(20)22-6-13(21)18-12-4-3-10(23-7-16)5-11(12)15/h3-5,8-9H,6H2,1-2H3,(H,18,21)