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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)ethanamide Openeye Name: N-(3-isopropoxypropyl)-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(3-propan-2-yloxypropyl)acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide Traditional Name: N-(3-isopropoxypropyl)-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCCOC(C)C)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCCOC(C)C)C3=CC=NC=C3

InChI

InChI=1S/C22H27N5O2S/c1-16(2)29-14-4-11-24-20(28)15-30-22-26-25-21(18-9-12-23-13-10-18)27(22)19-7-5-17(3)6-8-19/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,24,28)