N-[2-(4-methylphenyl)sulfanylethyl]-3-(1-phenylpyrazol-4-yl)propanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: 3-(1-phenylpyrazol-4-yl)-N-[2-(p-tolylsulfanyl)ethyl]propanamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: 3-(1-phenylpyrazol-4-yl)-N-[2-(p-tolylthio)ethyl]propionamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3OS/c1-17-7-10-20(11-8-17)26-14-13-22-21(25)12-9-18-15-23-24(16-18)19-5-3-2-4-6-19/h2-8,10-11,15-16H,9,12-14H2,1H3,(H,22,25)