butyl 1-[(4-tert-butylphenyl)methylsulfanyl]-N-pyridin-3-yl-methanimidate

Systemtic Name: butyl 1-[(4-tert-butylphenyl)methylsulfanyl]-N-pyridin-3-yl-methanimidate Openeye Name: butyl 1-[(4-tert-butylphenyl)methylsulfanyl]-N-(3-pyridyl)methanimidate CAS Name: 1-[(4-tert-butylphenyl)methylthio]-N-(3-pyridinyl)methanimidic acid butyl ester IUPAC Name: butyl 1-[(4-tert-butylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimidate Traditional Name: 1-[(4-tert-butylbenzyl)thio]-N-(3-pyridyl)formimidic acid butyl ester Formula: C21H28N2OS MolecularWeight: 356.52482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCOC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H28N2OS/c1-5-6-14-24-20(23-19-8-7-13-22-15-19)25-16-17-9-11-18(12-10-17)21(2,3)4/h7-13,15H,5-6,14,16H2,1-4H3