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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-(1,2-dithiolan-3-yl)pentanamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-(dithiolan-3-yl)pentanamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-5-(3-dithiolanyl)pentanamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(dithiolan-3-yl)pentanamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-(dithiolan-3-yl)valeramide Formula: C20H27N3OS2 MolecularWeight: 389.57788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCCCC3CCSS3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCCCC3CCSS3

InChI

InChI=1S/C20H27N3OS2/c1-15-19(16(2)23(22-15)17-8-4-3-5-9-17)14-21-20(24)11-7-6-10-18-12-13-25-26-18/h3-5,8-9,18H,6-7,10-14H2,1-2H3,(H,21,24)