(2-phenylsulfanylpyridin-3-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (2-phenylsulfanylpyridin-3-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: (2-phenylsulfanyl-3-pyridyl)-[4-(2-thienylmethyl)piperazin-1-yl]methanone CAS Name: [2-(phenylthio)-3-pyridinyl]-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (2-phenylsulfanylpyridin-3-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Traditional Name: [2-(phenylthio)-3-pyridyl]-[4-(2-thenyl)piperazino]methanone Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS2/c25-21(24-13-11-23(12-14-24)16-18-8-5-15-26-18)19-9-4-10-22-20(19)27-17-6-2-1-3-7-17/h1-10,15H,11-14,16H2