1-naphthalen-2-yl-2-[[4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-naphthalen-2-yl-2-[[4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 1-(2-naphthalenyl)-2-[[4-(phenylmethyl)-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[[4-benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 2-[[4-benzyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthyl)ethanone Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H26N4OS/c31-24(23-13-12-21-10-4-5-11-22(21)16-23)19-32-26-28-27-25(18-29-14-6-7-15-29)30(26)17-20-8-2-1-3-9-20/h1-5,8-13,16H,6-7,14-15,17-19H2