4-methyl-2-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Systemtic Name: 4-methyl-2-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Openeye Name: 4-methyl-2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile CAS Name: 4-methyl-2-[[2-oxo-2-[4-(2-phenoxyethyl)-1-piperazinyl]ethyl]thio]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile IUPAC Name: 4-methyl-2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[4-(2-phenoxyethyl)piperazino]ethyl]thio]-4-methyl-1-pyrindan-3-carbonitrile Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C1CCC2)SCC(=O)N3CCN(CC3)CCOC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=NC2=C1CCC2)SCC(=O)N3CCN(CC3)CCOC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H28N4O2S/c1-18-20-8-5-9-22(20)26-24(21(18)16-25)31-17-23(29)28-12-10-27(11-13-28)14-15-30-19-6-3-2-4-7-19/h2-4,6-7H,5,8-15,17H2,1H3