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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)Cl

InChI

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