N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide

Systemtic Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide Openeye Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide CAS Name: N-[2-(3,5-dimethyl-1-pyrazolyl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide Traditional Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C4SCCS4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C4SCCS4)C

InChI

InChI=1S/C21H21N3OS2/c1-14-13-15(2)24(23-14)19-6-4-3-5-18(19)22-20(25)16-7-9-17(10-8-16)21-26-11-12-27-21/h3-10,13,21H,11-12H2,1-2H3,(H,22,25)