2-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[(4-amino-5-p-phenetyl-1,2,4-triazol-3-yl)thio]-N-(2,6-dimethylphenyl)acetamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C20H23N5O2S/c1-4-27-16-10-8-15(9-11-16)19-23-24-20(25(19)21)28-12-17(26)22-18-13(2)6-5-7-14(18)3/h5-11H,4,12,21H2,1-3H3,(H,22,26)