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

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)propanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)propanamide CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)propanamide IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)propanamide Traditional Name: 2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)propionamide Formula: C24H30N4OS2 MolecularWeight: 454.6512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4OS2/c1-17(19-10-5-3-6-11-19)25-23(29)18(2)31-24-27-26-22(16-21-14-9-15-30-21)28(24)20-12-7-4-8-13-20/h3,5-6,9-11,14-15,17-18,20H,4,7-8,12-13,16H2,1-2H3,(H,25,29)