(4-methoxyphenyl)methyl 2-(cyanomethyl)-N-methyl-1-pyridin-3-yl-cyclohexane-1-carboximidothioate

Systemtic Name: (4-methoxyphenyl)methyl 2-(cyanomethyl)-N-methyl-1-pyridin-3-yl-cyclohexane-1-carboximidothioate Openeye Name: (4-methoxyphenyl)methyl 2-(cyanomethyl)-N-methyl-1-(3-pyridyl)cyclohexanecarboximidothioate CAS Name: 2-(cyanomethyl)-N-methyl-1-(3-pyridinyl)-1-cyclohexanecarboximidothioic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2-(cyanomethyl)-N-methyl-1-pyridin-3-ylcyclohexane-1-carboximidothioate Traditional Name: 2-(cyanomethyl)-N-methyl-1-(3-pyridyl)cyclohexanecarboximidothioic acid p-anisyl ester Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(C1(CCCCC1CC#N)C2=CN=CC=C2)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CN=C(C1(CCCCC1CC#N)C2=CN=CC=C2)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H27N3OS/c1-25-22(28-17-18-8-10-21(27-2)11-9-18)23(20-7-5-15-26-16-20)13-4-3-6-19(23)12-14-24/h5,7-11,15-16,19H,3-4,6,12-13,17H2,1-2H3