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

Systemtic Name: 2-[[4-azanyl-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-ethanamide Openeye Name: 2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-acetamide CAS Name: 2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-butylacetamide IUPAC Name: 2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-butylacetamide Traditional Name: 2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-butyl-acetamide Formula: C17H25N5O2S MolecularWeight: 363.4777

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1N)COC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1N)COC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C17H25N5O2S/c1-4-5-8-19-16(23)11-25-17-21-20-15(22(17)18)10-24-14-7-6-12(2)9-13(14)3/h6-7,9H,4-5,8,10-11,18H2,1-3H3,(H,19,23)