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

Systemtic Name: 2-[[4-azanyl-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[(4-amino-5-m-phenetyl-1,2,4-triazol-3-yl)thio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)OCC)C

InChI

InChI=1S/C21H25N5O2S/c1-4-15-9-6-8-14(3)19(15)23-18(27)13-29-21-25-24-20(26(21)22)16-10-7-11-17(12-16)28-5-2/h6-12H,4-5,13,22H2,1-3H3,(H,23,27)