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

Systemtic Name: 2-[[4-(3-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-(3-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-(3-methoxyphenyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-(3-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-(3-methoxyphenyl)-5-(2-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=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)N3CCCCC3)C4=CC=CC=N4

InChI

InChI=1S/C21H23N5O2S/c1-28-17-9-7-8-16(14-17)26-20(18-10-3-4-11-22-18)23-24-21(26)29-15-19(27)25-12-5-2-6-13-25/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3