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

Systemtic Name: 2-[[4-(3-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-(3-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-(3-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-(3-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-(3-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)N3CCCCC3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)N3CCCCC3)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5O2S/c1-28-18-7-5-6-17(14-18)26-20(16-8-10-22-11-9-16)23-24-21(26)29-15-19(27)25-12-3-2-4-13-25/h5-11,14H,2-4,12-13,15H2,1H3