N-[2-(4-methylphenyl)sulfanylethyl]-1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-phenyl-N-[2-(p-tolylsulfanyl)ethyl]-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-phenyl-N-[2-(p-tolylthio)ethyl]-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C24H22N4OS MolecularWeight: 414.52268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H22N4OS/c1-18-9-11-21(12-10-18)30-15-14-26-24(29)22-17-28(20-7-3-2-4-8-20)27-23(22)19-6-5-13-25-16-19/h2-13,16-17H,14-15H2,1H3,(H,26,29)