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

Systemtic Name: 2-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-yl-ethanamide Openeye Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylbutyl)acetamide CAS Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-pentan-2-ylacetamide IUPAC Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide Traditional Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]-N-(1-methylbutyl)acetamide Formula: C16H21ClN4OS MolecularWeight: 352.88214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NN=CN1C2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NN=CN1C2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C16H21ClN4OS/c1-4-5-12(3)19-15(22)9-23-16-20-18-10-21(16)13-7-6-11(2)14(17)8-13/h6-8,10,12H,4-5,9H2,1-3H3,(H,19,22)