S-[(2-cyano-6-thiophen-2-yl-pyridin-3-yl)methyl] 4-methylpiperazine-1-carbothioate

Systemtic Name: S-[(2-cyano-6-thiophen-2-yl-pyridin-3-yl)methyl] 4-methylpiperazine-1-carbothioate Openeye Name: S-[[2-cyano-6-(2-thienyl)-3-pyridyl]methyl] 4-methylpiperazine-1-carbothioate CAS Name: 4-methyl-1-piperazinecarbothioic acid S-[(2-cyano-6-thiophen-2-yl-3-pyridinyl)methyl] ester IUPAC Name: S-[(2-cyano-6-thiophen-2-ylpyridin-3-yl)methyl] 4-methylpiperazine-1-carbothioate Traditional Name: 4-methylpiperazine-1-carbothioic acid S-[[2-cyano-6-(2-thienyl)-3-pyridyl]methyl] ester Formula: C17H18N4OS2 MolecularWeight: 358.48102

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)SCC2=C(N=C(C=C2)C3=CC=CS3)C#N

Isomeric SMILES

CN1CCN(CC1)C(=O)SCC2=C(N=C(C=C2)C3=CC=CS3)C#N

InChI

InChI=1S/C17H18N4OS2/c1-20-6-8-21(9-7-20)17(22)24-12-13-4-5-14(19-15(13)11-18)16-3-2-10-23-16/h2-5,10H,6-9,12H2,1H3