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

Systemtic Name: 2-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-ethanamide Openeye Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-butylacetamide IUPAC Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butylacetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-butyl-acetamide Formula: C14H18ClN5OS MolecularWeight: 339.84362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClN5OS/c1-2-3-8-17-12(21)9-22-14-19-18-13(20(14)16)10-4-6-11(15)7-5-10/h4-7H,2-3,8-9,16H2,1H3,(H,17,21)