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

Systemtic Name: 2,5-dimethyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[[4-[4-(methylthio)phenoxy]phenyl]methyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[4-[4-(methylthio)phenoxy]benzyl]pyrazole-3-carboxamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C20H21N3O2S/c1-14-12-19(23(2)22-14)20(24)21-13-15-4-6-16(7-5-15)25-17-8-10-18(26-3)11-9-17/h4-12H,13H2,1-3H3,(H,21,24)