1-[(3,5-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide CAS Name: 1-[(3,5-dimethylphenoxy)methyl]-N-[2-(phenylthio)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(3,5-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide Traditional Name: 1-[(3,5-dimethylphenoxy)methyl]-N-[2-(phenylthio)phenyl]pyrazole-3-carboxamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCN2C=CC(=N2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCN2C=CC(=N2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3O2S/c1-18-14-19(2)16-20(15-18)30-17-28-13-12-23(27-28)25(29)26-22-10-6-7-11-24(22)31-21-8-4-3-5-9-21/h3-16H,17H2,1-2H3,(H,26,29)