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

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C22H26N4OS2 MolecularWeight: 426.59804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C22H26N4OS2/c1-16(21(27)23-17-9-4-2-5-10-17)29-22-25-24-20(15-19-13-8-14-28-19)26(22)18-11-6-3-7-12-18/h2,4-5,8-10,13-14,16,18H,3,6-7,11-12,15H2,1H3,(H,23,27)