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

Systemtic Name: 2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-ethanamide Openeye Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-acetamide CAS Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclooctylacetamide IUPAC Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctylacetamide Traditional Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclooctyl-acetamide Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NC3CCCCCCC3

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NC3CCCCCCC3

InChI

InChI=1S/C19H27N5O2S/c1-26-16-12-8-7-11-15(16)18-22-23-19(24(18)20)27-13-17(25)21-14-9-5-3-2-4-6-10-14/h7-8,11-12,14H,2-6,9-10,13,20H2,1H3,(H,21,25)