2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[2-(1-phenylcyclopropyl)carbonylpyrazolidin-1-yl]ethanone

Systemtic Name: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[2-(1-phenylcyclopropyl)carbonylpyrazolidin-1-yl]ethanone Openeye Name: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethanone CAS Name: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-[2-[oxo-(1-phenylcyclopropyl)methyl]-1-pyrazolidinyl]ethanone IUPAC Name: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethanone Traditional Name: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethanone Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCN2C(=O)C3(CC3)C4=CC=CC=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCN2C(=O)C3(CC3)C4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H29N5O3S/c1-3-29-23(19-10-12-21(34-2)13-11-19)27-28-25(29)35-18-22(32)30-16-7-17-31(30)24(33)26(14-15-26)20-8-5-4-6-9-20/h4-6,8-13H,3,7,14-18H2,1-2H3