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

Systemtic Name: S-[[3-chloranyl-4-(4-cyanophenyl)-6-thiophen-2-yl-pyridin-2-yl]methyl] 4-methylpiperazine-1-carbothioate Openeye Name: S-[[3-chloro-4-(4-cyanophenyl)-6-(2-thienyl)-2-pyridyl]methyl] 4-methylpiperazine-1-carbothioate CAS Name: 4-methyl-1-piperazinecarbothioic acid S-[[3-chloro-4-(4-cyanophenyl)-6-thiophen-2-yl-2-pyridinyl]methyl] ester IUPAC Name: S-[[3-chloro-4-(4-cyanophenyl)-6-thiophen-2-ylpyridin-2-yl]methyl] 4-methylpiperazine-1-carbothioate Traditional Name: 4-methylpiperazine-1-carbothioic acid S-[[3-chloro-4-(4-cyanophenyl)-6-(2-thienyl)-2-pyridyl]methyl] ester Formula: C23H21ClN4OS2 MolecularWeight: 469.02204

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)SCC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)SCC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C23H21ClN4OS2/c1-27-8-10-28(11-9-27)23(29)31-15-20-22(24)18(17-6-4-16(14-25)5-7-17)13-19(26-20)21-3-2-12-30-21/h2-7,12-13H,8-11,15H2,1H3