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

Systemtic Name: 2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-acetamide CAS Name: 2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-hexylacetamide IUPAC Name: 2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexylacetamide Traditional Name: 2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-hexyl-acetamide Formula: C23H34N4O2S MolecularWeight: 430.60666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H34N4O2S/c1-3-4-5-9-16-24-21(28)17-30-23-26-25-22(18-12-14-20(29-2)15-13-18)27(23)19-10-7-6-8-11-19/h12-15,19H,3-11,16-17H2,1-2H3,(H,24,28)