N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: N-homoveratryl-2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidine-1-carbothioamide Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=S)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=S)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H29N5O3S/c1-18-21(17-27-30(18)20-8-5-4-6-9-20)24(31)28-14-7-15-29(28)25(34)26-13-12-19-10-11-22(32-2)23(16-19)33-3/h4-6,8-11,16-17H,7,12-15H2,1-3H3,(H,26,34)