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

Systemtic Name: S-[(4-cyano-3,6-diphenyl-pyridin-2-yl)methyl] 4-methylpiperazine-1-carbothioate Openeye Name: S-[(4-cyano-3,6-diphenyl-2-pyridyl)methyl] 4-methylpiperazine-1-carbothioate CAS Name: 4-methyl-1-piperazinecarbothioic acid S-[(4-cyano-3,6-diphenyl-2-pyridinyl)methyl] ester IUPAC Name: S-[(4-cyano-3,6-diphenylpyridin-2-yl)methyl] 4-methylpiperazine-1-carbothioate Traditional Name: 4-methylpiperazine-1-carbothioic acid S-[(4-cyano-3,6-diphenyl-2-pyridyl)methyl] ester Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4OS/c1-28-12-14-29(15-13-28)25(30)31-18-23-24(20-10-6-3-7-11-20)21(17-26)16-22(27-23)19-8-4-2-5-9-19/h2-11,16H,12-15,18H2,1H3