2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethylcarbamoyl)ethanamide Openeye Name: 2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide CAS Name: 2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[(2-methoxyethylamino)-oxomethyl]acetamide IUPAC Name: 2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide Traditional Name: 2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxyethylcarbamoyl)acetamide Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)NCCOC)C3=CC=NC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)NCCOC)C3=CC=NC=C3

InChI

InChI=1S/C21H24N6O3S/c1-3-15-4-6-17(7-5-15)27-19(16-8-10-22-11-9-16)25-26-21(27)31-14-18(28)24-20(29)23-12-13-30-2/h4-11H,3,12-14H2,1-2H3,(H2,23,24,28,29)