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

Systemtic Name: 2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)thio]-N-(2,6-diethylphenyl)acetamide Formula: C22H30N4OS MolecularWeight: 398.5648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2CC=C)C3CCCC3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2CC=C)C3CCCC3

InChI

InChI=1S/C22H30N4OS/c1-4-14-26-21(18-10-7-8-11-18)24-25-22(26)28-15-19(27)23-20-16(5-2)12-9-13-17(20)6-3/h4,9,12-13,18H,1,5-8,10-11,14-15H2,2-3H3,(H,23,27)