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

Systemtic Name: 2-[[4-azanyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-ethanamide Openeye Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-acetamide CAS Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-butylacetamide IUPAC Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butylacetamide Traditional Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-butyl-acetamide Formula: C14H17Cl2N5OS MolecularWeight: 374.28868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17Cl2N5OS/c1-2-3-6-18-12(22)8-23-14-20-19-13(21(14)17)10-5-4-9(15)7-11(10)16/h4-5,7H,2-3,6,8,17H2,1H3,(H,18,22)