2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-diethoxyphenyl)ethanamide

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-diethoxyphenyl)ethanamide Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-diethoxyphenyl)acetamide CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(3,4-diethoxyphenyl)acetamide IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-diethoxyphenyl)acetamide Traditional Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(3,4-diethoxyphenyl)acetamide Formula: C21H30N4O3S MolecularWeight: 418.5529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C)OCC

InChI

InChI=1S/C21H30N4O3S/c1-4-27-18-12-11-16(13-19(18)28-5-2)22-20(26)14-29-21-24-23-15(3)25(21)17-9-7-6-8-10-17/h11-13,17H,4-10,14H2,1-3H3,(H,22,26)