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

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-(1,3-dithian-2-yl)benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(1,3-dithian-2-yl)benzamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-(1,3-dithian-2-yl)benzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(1,3-dithian-2-yl)benzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(1,3-dithian-2-yl)benzamide Formula: C24H27N3OS2 MolecularWeight: 437.62068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C24H27N3OS2/c1-17-22(18(2)27(26-17)16-19-7-4-3-5-8-19)15-25-23(28)20-9-11-21(12-10-20)24-29-13-6-14-30-24/h3-5,7-12,24H,6,13-16H2,1-2H3,(H,25,28)