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

Systemtic Name: 2-[[4-azanyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-ethanamide Openeye Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-acetamide CAS Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclooctylacetamide IUPAC Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctylacetamide Traditional Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclooctyl-acetamide Formula: C18H24ClN5OS MolecularWeight: 393.93406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Cl

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H24ClN5OS/c19-15-11-7-6-10-14(15)17-22-23-18(24(17)20)26-12-16(25)21-13-8-4-2-1-3-5-9-13/h6-7,10-11,13H,1-5,8-9,12,20H2,(H,21,25)