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

Systemtic Name: 1-naphthalen-2-yl-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(2-naphthyl)-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-naphthalenyl)-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-naphthalen-2-yl-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(2-naphthyl)-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC5=CC=CC=C5C=C4

InChI

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