4-[(4-fluorophenyl)amino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[(4-fluorophenyl)amino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-fluoroanilino)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-fluoroanilino)-2-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-fluoroanilino)-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(4-fluoroanilino)-2-(methylthio)-6-phenyl-pyrimidine-5-carbonitrile Formula: C18H13FN4S MolecularWeight: 336.386023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13FN4S/c1-24-18-22-16(12-5-3-2-4-6-12)15(11-20)17(23-18)21-14-9-7-13(19)8-10-14/h2-10H,1H3,(H,21,22,23)