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

Systemtic Name: N-(2-ethylsulfanylethyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide Openeye Name: N-(2-ethylsulfanylethyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide CAS Name: N-[2-(ethylthio)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide IUPAC Name: N-(2-ethylsulfanylethyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide Traditional Name: N-[2-(ethylthio)ethyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(=O)C1=CC=C(C=C1)C2=CC(=NN2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCSCCNC(=O)C1=CC=C(C=C1)C2=CC(=NN2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H23N3O2S/c1-3-27-12-11-22-21(25)16-9-7-15(8-10-16)19-14-20(24-23-19)17-5-4-6-18(13-17)26-2/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,25)(H,23,24)