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

Systemtic Name: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpyrazolidin-1-yl]ethanone Openeye Name: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidin-1-yl]ethanone CAS Name: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-[2-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-1-pyrazolidinyl]ethanone IUPAC Name: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]ethanone Traditional Name: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-[2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidin-1-yl]ethanone Formula: C27H29N7O3S MolecularWeight: 531.62926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N7O3S/c1-4-31-25(20-11-13-22(37-3)14-12-20)29-30-27(31)38-18-24(35)32-15-8-16-33(32)26(36)23-17-28-34(19(23)2)21-9-6-5-7-10-21/h5-7,9-14,17H,4,8,15-16,18H2,1-3H3