2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)ethanamide

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2,6-diethylphenyl)acetamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2C3CCCCC3)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2C3CCCCC3)C

InChI

InChI=1S/C21H30N4OS/c1-4-16-10-9-11-17(5-2)20(16)22-19(26)14-27-21-24-23-15(3)25(21)18-12-7-6-8-13-18/h9-11,18H,4-8,12-14H2,1-3H3,(H,22,26)