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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-phenyl-N-[2-(p-tolylsulfanyl)ethyl]pyrazole-4-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-phenylpyrazole-4-carboxamide Traditional Name: 1-benzyl-3-phenyl-N-[2-(p-tolylthio)ethyl]pyrazole-4-carboxamide Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H25N3OS/c1-20-12-14-23(15-13-20)31-17-16-27-26(30)24-19-29(18-21-8-4-2-5-9-21)28-25(24)22-10-6-3-7-11-22/h2-15,19H,16-18H2,1H3,(H,27,30)