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

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methyl-3-phenyl-propyl)propanamide CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenylbutan-2-yl)propanamide IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide Traditional Name: 2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(1-methyl-3-phenyl-propyl)propionamide Formula: C26H34N4OS2 MolecularWeight: 482.70436

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C26H34N4OS2/c1-19(15-16-21-10-5-3-6-11-21)27-25(31)20(2)33-26-29-28-24(18-23-14-9-17-32-23)30(26)22-12-7-4-8-13-22/h3,5-6,9-11,14,17,19-20,22H,4,7-8,12-13,15-16,18H2,1-2H3,(H,27,31)