3-[[4-[2-(3-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

Systemtic Name: 3-[[4-[2-(3-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one Openeye Name: 3-[[4-[2-(3-chloro-2-thienyl)-2-oxo-ethyl]-1-piperidyl]methyl]-1H-pyrazin-2-one CAS Name: 3-[[4-[2-(3-chloro-2-thiophenyl)-2-oxoethyl]-1-piperidinyl]methyl]-1H-pyrazin-2-one IUPAC Name: 3-[[4-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one Traditional Name: 3-[[4-[2-(3-chloro-2-thienyl)-2-keto-ethyl]piperidino]methyl]-1H-pyrazin-2-one Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)C2=C(C=CS2)Cl)CC3=NC=CNC3=O

Isomeric SMILES

C1CN(CCC1CC(=O)C2=C(C=CS2)Cl)CC3=NC=CNC3=O

InChI

InChI=1S/C16H18ClN3O2S/c17-12-3-8-23-15(12)14(21)9-11-1-6-20(7-2-11)10-13-16(22)19-5-4-18-13/h3-5,8,11H,1-2,6-7,9-10H2,(H,19,22)