N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: N-[3-(2-oxo-1-pyrrolidinyl)phenyl]-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[3-(2-ketopyrrolidino)phenyl]acetamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)N3CCCC3=O)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)N3CCCC3=O)C4=CN=CC=C4

InChI

InChI=1S/C22H22N6O2S/c1-2-11-28-21(16-6-4-10-23-14-16)25-26-22(28)31-15-19(29)24-17-7-3-8-18(13-17)27-12-5-9-20(27)30/h2-4,6-8,10,13-14H,1,5,9,11-12,15H2,(H,24,29)