2,4,5-trimethyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]pyrazole-3-carboxamide

Systemtic Name: 2,4,5-trimethyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]pyrazole-3-carboxamide Openeye Name: 2,4,5-trimethyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]pyrazole-3-carboxamide CAS Name: 2,4,5-trimethyl-N-[[4-[4-(methylthio)phenoxy]phenyl]methyl]-3-pyrazolecarboxamide IUPAC Name: 2,4,5-trimethyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]pyrazole-3-carboxamide Traditional Name: 2,4,5-trimethyl-N-[4-[4-(methylthio)phenoxy]benzyl]pyrazole-3-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(N(N=C1C)C)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H23N3O2S/c1-14-15(2)23-24(3)20(14)21(25)22-13-16-5-7-17(8-6-16)26-18-9-11-19(27-4)12-10-18/h5-12H,13H2,1-4H3,(H,22,25)