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

Systemtic Name: N-cyclooctyl-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclooctyl-2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclooctyl-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclooctyl-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclooctyl-2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2CCCCCCC2)C3=CC(=CC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2CCCCCCC2)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H30N4OS/c1-3-25-20(17-11-9-10-16(2)14-17)23-24-21(25)27-15-19(26)22-18-12-7-5-4-6-8-13-18/h9-11,14,18H,3-8,12-13,15H2,1-2H3,(H,22,26)