[4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenyl] thiocyanate

Systemtic Name: [4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenyl] thiocyanate Openeye Name: [4-[[2-methyl-6-(p-tolyl)pyrimidin-4-yl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-methyl-6-(4-methylphenyl)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-methyl-6-(p-tolyl)pyrimidin-4-yl]amino]phenyl] ester Formula: C19H16N4S MolecularWeight: 332.42214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=N2)C)NC3=CC=C(C=C3)SC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=N2)C)NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C19H16N4S/c1-13-3-5-15(6-4-13)18-11-19(22-14(2)21-18)23-16-7-9-17(10-8-16)24-12-20/h3-11H,1-2H3,(H,21,22,23)