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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(1,3-dithiolan-2-yl)-N-methyl-benzamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(1,3-dithiolan-2-yl)-N-methyl-benzamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-(1,3-dithiolan-2-yl)-N-methylbenzamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(1,3-dithiolan-2-yl)-N-methylbenzamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(1,3-dithiolan-2-yl)-N-methyl-benzamide Formula: C23H25N3OS2 MolecularWeight: 423.5941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3OS2/c1-16-21(17(2)26(24-16)20-7-5-4-6-8-20)15-25(3)22(27)18-9-11-19(12-10-18)23-28-13-14-29-23/h4-12,23H,13-15H2,1-3H3