4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(phenylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide CAS Name: 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NNC(=C2)C3=CC=C(C=C3)C(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2S/c1-31-23-9-5-8-22(16-23)25-17-24(28-29-25)20-10-12-21(13-11-20)26(30)27-14-15-32-18-19-6-3-2-4-7-19/h2-13,16-17H,14-15,18H2,1H3,(H,27,30)(H,28,29)