N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-4-phenylsulfanyl-butanamide Openeye Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-4-phenylsulfanyl-butanamide CAS Name: N-[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]-4-(phenylthio)butanamide IUPAC Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-4-phenylsulfanylbutanamide Traditional Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-4-(phenylthio)butyramide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)CCCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)CCCSC3=CC=CC=C3)C

InChI

InChI=1S/C20H22N4OS/c1-15-13-16(2)24(23-15)19-11-10-17(14-21-19)22-20(25)9-6-12-26-18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,22,25)