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

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[[5-(3-isopropoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridyl)acetamide CAS Name: 2-[[4-(3-methoxypropyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[[4-(3-methoxypropyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-ylacetamide Traditional Name: 2-[[5-(3-isopropoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyridyl)acetamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CCCOC)SCC(=O)NC3=CN=CC=C3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CCCOC)SCC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C22H27N5O3S/c1-16(2)30-19-9-4-7-17(13-19)21-25-26-22(27(21)11-6-12-29-3)31-15-20(28)24-18-8-5-10-23-14-18/h4-5,7-10,13-14,16H,6,11-12,15H2,1-3H3,(H,24,28)