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

Systemtic Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] thiocyanate Openeye Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C18H14N4S2 MolecularWeight: 350.46056

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)SC#N)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)SC#N)C3=CC=CC=C3

InChI

InChI=1S/C18H14N4S2/c1-23-18-21-16(13-5-3-2-4-6-13)11-17(22-18)20-14-7-9-15(10-8-14)24-12-19/h2-11H,1H3,(H,20,21,22)