4-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile Openeye Name: 4-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile CAS Name: 4-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-2,6-dimethyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-2,6-dimethylpyrimidine-5-carbonitrile Traditional Name: 4-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-2,6-dimethyl-pyrimidine-5-carbonitrile Formula: C17H16FN3OS MolecularWeight: 329.391843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCCCC(=O)C2=CC=C(C=C2)F)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCCCC(=O)C2=CC=C(C=C2)F)C#N

InChI

InChI=1S/C17H16FN3OS/c1-11-15(10-19)17(21-12(2)20-11)23-9-3-4-16(22)13-5-7-14(18)8-6-13/h5-8H,3-4,9H2,1-2H3