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

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] thiocyanate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C18H14N4S MolecularWeight: 318.39556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)SC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)SC#N)C3=CC=CC=C3

InChI

InChI=1S/C18H14N4S/c1-13-20-17(14-5-3-2-4-6-14)11-18(21-13)22-15-7-9-16(10-8-15)23-12-19/h2-11H,1H3,(H,20,21,22)