2-[[5-(2-methoxyphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-benzyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(2-methoxyphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-benzyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-benzyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)N4CCCCC4

InChI

InChI=1S/C23H26N4O2S/c1-29-20-13-7-6-12-19(20)22-24-25-23(27(22)16-18-10-4-2-5-11-18)30-17-21(28)26-14-8-3-9-15-26/h2,4-7,10-13H,3,8-9,14-17H2,1H3