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

Systemtic Name: 2-[[4-(3-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-(3-methoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(3-methoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(3-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-(3-methoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)N3CCCC3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)N3CCCC3)C4=CN=CC=C4

InChI

InChI=1S/C20H21N5O2S/c1-27-17-8-4-7-16(12-17)25-19(15-6-5-9-21-13-15)22-23-20(25)28-14-18(26)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11,14H2,1H3