N-ethyl-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylprop-2-enyl)ethanamide

Systemtic Name: N-ethyl-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylprop-2-enyl)ethanamide Openeye Name: N-ethyl-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylallyl)acetamide CAS Name: N-ethyl-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(2-methylprop-2-enyl)acetamide IUPAC Name: N-ethyl-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylprop-2-enyl)acetamide Traditional Name: N-ethyl-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-methylallyl)acetamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=NC=C3

Isomeric SMILES

CCN(CC(=C)C)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=NC=C3

InChI

InChI=1S/C22H25N5O2S/c1-5-26(14-16(2)3)20(28)15-30-22-25-24-21(17-10-12-23-13-11-17)27(22)18-6-8-19(29-4)9-7-18/h6-13H,2,5,14-15H2,1,3-4H3