N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(phenylthio)nicotinamide Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H24N4OS/c1-18-23(19(2)29(28-18)17-20-10-5-3-6-11-20)16-27-24(30)22-14-9-15-26-25(22)31-21-12-7-4-8-13-21/h3-15H,16-17H2,1-2H3,(H,27,30)