6-cyclopropyl-2-methylsulfanyl-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]carbonyl-pyridine-3-carbonitrile

Systemtic Name: 6-cyclopropyl-2-methylsulfanyl-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]carbonyl-pyridine-3-carbonitrile Openeye Name: 6-cyclopropyl-2-methylsulfanyl-4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazine-1-carbonyl]pyridine-3-carbonitrile CAS Name: 6-cyclopropyl-2-(methylthio)-4-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methyl]-3-pyridinecarbonitrile IUPAC Name: 6-cyclopropyl-2-methylsulfanyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyridine-3-carbonitrile Traditional Name: 6-cyclopropyl-4-[4-(2-keto-2-pyrrolidino-ethyl)piperazine-1-carbonyl]-2-(methylthio)nicotinonitrile Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)N3CCN(CC3)CC(=O)N4CCCC4)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)N3CCN(CC3)CC(=O)N4CCCC4)C#N

InChI

InChI=1S/C21H27N5O2S/c1-29-20-17(13-22)16(12-18(23-20)15-4-5-15)21(28)26-10-8-24(9-11-26)14-19(27)25-6-2-3-7-25/h12,15H,2-11,14H2,1H3