6-cyclopropyl-4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-2-methylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-cyclopropyl-4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-2-methylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-cyclopropyl-4-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-cyclopropyl-4-[[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 6-cyclopropyl-4-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 6-cyclopropyl-4-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-(methylthio)nicotinonitrile Formula: C21H21FN4O3S2 MolecularWeight: 460.544843

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F)C#N

InChI

InChI=1S/C21H21FN4O3S2/c1-30-20-16(13-23)15(12-18(24-20)14-6-7-14)21(27)25-8-10-26(11-9-25)31(28,29)19-5-3-2-4-17(19)22/h2-5,12,14H,6-11H2,1H3