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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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