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

Systemtic Name: 2-[[4-azanyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-isopropyl-acetamide Formula: C13H15Cl2N5OS MolecularWeight: 360.2621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15Cl2N5OS/c1-7(2)17-11(21)6-22-13-19-18-12(20(13)16)9-4-3-8(14)5-10(9)15/h3-5,7H,6,16H2,1-2H3,(H,17,21)