N-[(1R)-1-(1-adamantyl)ethyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H26N4OS2 MolecularWeight: 402.57664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NNC(=N4)C5=CC=CS5

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NNC(=N4)C5=CC=CS5

InChI

InChI=1S/C20H26N4OS2/c1-12(20-8-13-5-14(9-20)7-15(6-13)10-20)21-17(25)11-27-19-22-18(23-24-19)16-3-2-4-26-16/h2-4,12-15H,5-11H2,1H3,(H,21,25)(H,22,23,24)/t12-,13?,14?,15?,20?/m1/s1