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

Systemtic Name: 2-[[4-azanyl-5-[(4-chloranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-ethanamide Openeye Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-tert-butylacetamide IUPAC Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C15H20ClN5O2S MolecularWeight: 369.8696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1N)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1N)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H20ClN5O2S/c1-15(2,3)18-13(22)9-24-14-20-19-12(21(14)17)8-23-11-6-4-10(16)5-7-11/h4-7H,8-9,17H2,1-3H3,(H,18,22)