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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-cyclooctylacetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctylacetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-cyclooctyl-acetamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)SCC(=O)NC3CCCCCCC3

Isomeric SMILES

CC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)SCC(=O)NC3CCCCCCC3

InChI

InChI=1S/C21H29N5O2S/c1-15-24-25-21(26(15)19-12-8-11-18(13-19)22-16(2)27)29-14-20(28)23-17-9-6-4-3-5-7-10-17/h8,11-13,17H,3-7,9-10,14H2,1-2H3,(H,22,27)(H,23,28)