[3,5-dimethyl-4-(2-pyrimidin-2-ylsulfanylethanoylamino)phenyl] thiocyanate

Systemtic Name: [3,5-dimethyl-4-(2-pyrimidin-2-ylsulfanylethanoylamino)phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-[[2-(2-pyrimidylthio)acetyl]amino]phenyl] ester Formula: C15H14N4OS2 MolecularWeight: 330.42786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NC=CC=N2)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NC=CC=N2)C)SC#N

InChI

InChI=1S/C15H14N4OS2/c1-10-6-12(22-9-16)7-11(2)14(10)19-13(20)8-21-15-17-4-3-5-18-15/h3-7H,8H2,1-2H3,(H,19,20)