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

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2,6-diethylphenyl)acetamide Formula: C23H32N4OS MolecularWeight: 412.59138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

InChI

InChI=1S/C23H32N4OS/c1-4-15-27-22(19-11-8-7-9-12-19)25-26-23(27)29-16-20(28)24-21-17(5-2)13-10-14-18(21)6-3/h4,10,13-14,19H,1,5-9,11-12,15-16H2,2-3H3,(H,24,28)