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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CCCOC)C3=CC=NC=C3

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CCCOC)C3=CC=NC=C3

InChI

InChI=1S/C21H24N6O3S/c1-15(28)23-17-5-3-6-18(13-17)24-19(29)14-31-21-26-25-20(16-7-9-22-10-8-16)27(21)11-4-12-30-2/h3,5-10,13H,4,11-12,14H2,1-2H3,(H,23,28)(H,24,29)