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

Systemtic Name: N-(1-adamantyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N4OS/c1-15-24-25-21(26(15)13-16-5-3-2-4-6-16)28-14-20(27)23-22-10-17-7-18(11-22)9-19(8-17)12-22/h2-6,17-19H,7-14H2,1H3,(H,23,27)