2-[[4-azanyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C16H23N5O2S MolecularWeight: 349.45112

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(N1N)COC2=C(C=CC=C2C)C

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(N1N)COC2=C(C=CC=C2C)C

InChI

InChI=1S/C16H23N5O2S/c1-4-8-18-14(22)10-24-16-20-19-13(21(16)17)9-23-15-11(2)6-5-7-12(15)3/h5-7H,4,8-10,17H2,1-3H3,(H,18,22)