(3,3,5-trimethylcyclohexyl) 1-[(4-tert-butylphenyl)methylsulfanyl]-N-pyridin-3-yl-methanimidate

Systemtic Name: (3,3,5-trimethylcyclohexyl) 1-[(4-tert-butylphenyl)methylsulfanyl]-N-pyridin-3-yl-methanimidate Openeye Name: (3,3,5-trimethylcyclohexyl) 1-[(4-tert-butylphenyl)methylsulfanyl]-N-(3-pyridyl)methanimidate CAS Name: 1-[(4-tert-butylphenyl)methylthio]-N-(3-pyridinyl)methanimidic acid (3,3,5-trimethylcyclohexyl) ester IUPAC Name: (3,3,5-trimethylcyclohexyl) 1-[(4-tert-butylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimidate Traditional Name: 1-[(4-tert-butylbenzyl)thio]-N-(3-pyridyl)formimidic acid (3,3,5-trimethylcyclohexyl) ester Formula: C26H36N2OS MolecularWeight: 424.64184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)OC(=NC2=CN=CC=C2)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1CC(CC(C1)(C)C)OC(=NC2=CN=CC=C2)SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H36N2OS/c1-19-14-23(16-26(5,6)15-19)29-24(28-22-8-7-13-27-17-22)30-18-20-9-11-21(12-10-20)25(2,3)4/h7-13,17,19,23H,14-16,18H2,1-6H3