2-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide

Systemtic Name: 2-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-acetamide CAS Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-hexylacetamide IUPAC Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexylacetamide Traditional Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]-N-hexyl-acetamide Formula: C17H23ClN4OS MolecularWeight: 366.90872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NN=CN1C2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=CN1C2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C17H23ClN4OS/c1-3-4-5-6-9-19-16(23)11-24-17-21-20-12-22(17)14-8-7-13(2)15(18)10-14/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,19,23)