N-(1-adamantyl)-2-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(5-benzyl-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(5-benzyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(5-benzyl-4-isopropyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C24H32N4OS MolecularWeight: 424.60208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5

InChI

InChI=1S/C24H32N4OS/c1-16(2)28-21(11-17-6-4-3-5-7-17)26-27-23(28)30-15-22(29)25-24-12-18-8-19(13-24)10-20(9-18)14-24/h3-7,16,18-20H,8-15H2,1-2H3,(H,25,29)