[4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]phenyl] thiocyanate

Systemtic Name: [4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]phenyl] thiocyanate Openeye Name: [4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]phenyl] ester IUPAC Name: [4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]phenyl] ester Formula: C11H9N5OS2 MolecularWeight: 291.35206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NC=NN2)SC#N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NC=NN2)SC#N

InChI

InChI=1S/C11H9N5OS2/c12-6-19-9-3-1-8(2-4-9)15-10(17)5-18-11-13-7-14-16-11/h1-4,7H,5H2,(H,15,17)(H,13,14,16)