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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(1,3-dithiolan-2-yl)benzamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(1,3-dithiolan-2-yl)benzamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-(1,3-dithiolan-2-yl)benzamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(1,3-dithiolan-2-yl)benzamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(1,3-dithiolan-2-yl)benzamide Formula: C22H23N3OS2 MolecularWeight: 409.56752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H23N3OS2/c1-15-20(16(2)25(24-15)19-6-4-3-5-7-19)14-23-21(26)17-8-10-18(11-9-17)22-27-12-13-28-22/h3-11,22H,12-14H2,1-2H3,(H,23,26)