N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-phenylsulfanyl-butanamide Openeye Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-phenylsulfanyl-butanamide CAS Name: N-[2-(3,5-dimethyl-1-pyrazolyl)phenyl]-4-(phenylthio)butanamide IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-phenylsulfanylbutanamide Traditional Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(phenylthio)butyramide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC=C2NC(=O)CCCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC=C2NC(=O)CCCSC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3OS/c1-16-15-17(2)24(23-16)20-12-7-6-11-19(20)22-21(25)13-8-14-26-18-9-4-3-5-10-18/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,22,25)