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

Systemtic Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethyl]-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-benzyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethyl]-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-benzyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[(5-benzyl-4-homoveratryl-1,2,4-triazol-3-yl)thio]-1-piperidino-ethanone Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=NN=C2SCC(=O)N3CCCCC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=NN=C2SCC(=O)N3CCCCC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H32N4O3S/c1-32-22-12-11-21(17-23(22)33-2)13-16-30-24(18-20-9-5-3-6-10-20)27-28-26(30)34-19-25(31)29-14-7-4-8-15-29/h3,5-6,9-12,17H,4,7-8,13-16,18-19H2,1-2H3