N-(4-ethoxyphenyl)-3-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(4-ethoxyphenyl)-3-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-ethoxyphenyl)-3-[[4-isobutyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-ethoxyphenyl)-3-[[4-(2-methylpropyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-ethoxyphenyl)-3-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-isobutyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-propionamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2CC(C)C)C3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2CC(C)C)C3=CN=CC=C3

InChI

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