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

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-5-(1,2-dithiolan-3-yl)pentanamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-5-(dithiolan-3-yl)pentanamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-5-(3-dithiolanyl)pentanamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(dithiolan-3-yl)pentanamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-5-(dithiolan-3-yl)valeramide Formula: C21H29N3OS2 MolecularWeight: 403.60446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCCCC3CCSS3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCCCC3CCSS3

InChI

InChI=1S/C21H29N3OS2/c1-16-20(17(2)24(23-16)15-18-8-4-3-5-9-18)14-22-21(25)11-7-6-10-19-12-13-26-27-19/h3-5,8-9,19H,6-7,10-15H2,1-2H3,(H,22,25)