[3-methyl-4-(2-pyrimidin-2-ylsulfanylethanoylamino)phenyl] thiocyanate

Systemtic Name: [3-methyl-4-(2-pyrimidin-2-ylsulfanylethanoylamino)phenyl] thiocyanate Openeye Name: [3-methyl-4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[2-(2-pyrimidylthio)acetyl]amino]phenyl] ester Formula: C14H12N4OS2 MolecularWeight: 316.40128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NC=CC=N2

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C14H12N4OS2/c1-10-7-11(21-9-15)3-4-12(10)18-13(19)8-20-14-16-5-2-6-17-14/h2-7H,8H2,1H3,(H,18,19)