N-naphthalen-2-yl-2-[[5-[1-(phenylcarbonyl)pyrrolidin-2-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-naphthalen-2-yl-2-[[5-[1-(phenylcarbonyl)pyrrolidin-2-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(1-benzoylpyrrolidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)acetamide CAS Name: 2-[[5-(1-benzoyl-2-pyrrolidinyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[[5-(1-benzoylpyrrolidin-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide Traditional Name: 2-[[4-allyl-5-(1-benzoylpyrrolidin-2-yl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)acetamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2)C4CCCN4C(=O)C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2)C4CCCN4C(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2S/c1-2-16-33-26(24-13-8-17-32(24)27(35)21-10-4-3-5-11-21)30-31-28(33)36-19-25(34)29-23-15-14-20-9-6-7-12-22(20)18-23/h2-7,9-12,14-15,18,24H,1,8,13,16-17,19H2,(H,29,34)