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

Systemtic Name: 2-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-(2-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(2-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-o-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCCC3)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCCC3)C4=CN=CC=C4

InChI

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