[3,5-dimethyl-4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanoylamino]phenyl] thiocyanate

Systemtic Name: [3,5-dimethyl-4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanoylamino]phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[[1-oxo-2-(1,3,4-thiadiazol-2-ylthio)ethyl]amino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylthio)acetyl]amino]phenyl] ester Formula: C13H12N4OS3 MolecularWeight: 336.45558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NN=CS2)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NN=CS2)C)SC#N

InChI

InChI=1S/C13H12N4OS3/c1-8-3-10(20-6-14)4-9(2)12(8)16-11(18)5-19-13-17-15-7-21-13/h3-4,7H,5H2,1-2H3,(H,16,18)