[3-methyl-4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]phenyl] thiocyanate

Systemtic Name: [3-methyl-4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]amino]phenyl] ester Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H18N4OS2/c1-14-10-17(28-13-22)8-9-18(14)24-20(26)12-27-21-23-15(2)11-19(25-21)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,24,26)