2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-indan-5-ylsulfanyl-1-[4-(4-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(indan-5-ylthio)-1-[4-(4-pyridylmethyl)piperazino]ethanone Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C21H25N3OS/c25-21(16-26-20-5-4-18-2-1-3-19(18)14-20)24-12-10-23(11-13-24)15-17-6-8-22-9-7-17/h4-9,14H,1-3,10-13,15-16H2