2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thienylmethyl)propanamide CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(2-thenyl)propionamide Formula: C21H26N4OS3 MolecularWeight: 446.65234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)SC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)SC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C21H26N4OS3/c1-15(20(26)22-14-18-10-6-12-28-18)29-21-24-23-19(13-17-9-5-11-27-17)25(21)16-7-3-2-4-8-16/h5-6,9-12,15-16H,2-4,7-8,13-14H2,1H3,(H,22,26)