N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-1-[(3,5-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Formula: C25H22ClN3O2S MolecularWeight: 463.97908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O2S/c1-17-13-18(2)15-20(14-17)31-16-29-12-11-23(28-29)25(30)27-22-5-3-4-6-24(22)32-21-9-7-19(26)8-10-21/h3-15H,16H2,1-2H3,(H,27,30)