4-[[5-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(3-fluorobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C21H18FN3OS MolecularWeight: 379.450523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCC2=CC=C(C=C2)C#N)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC2=CC=C(C=C2)C#N)C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H18FN3OS/c1-14-19(11-17-4-3-5-18(22)10-17)20(26)25(2)21(24-14)27-13-16-8-6-15(12-23)7-9-16/h3-10H,11,13H2,1-2H3