2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-ethanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylacetamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-acetamide Formula: C21H29ClN4OS MolecularWeight: 420.99916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SCC(=O)NC2CC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H29ClN4OS/c1-2-3-4-5-6-7-14-26-20(16-8-10-17(22)11-9-16)24-25-21(26)28-15-19(27)23-18-12-13-18/h8-11,18H,2-7,12-15H2,1H3,(H,23,27)