N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(1,3-dithiolan-2-yl)benzamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(1,3-dithiolan-2-yl)benzamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(1,3-dithiolan-2-yl)benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-4-(1,3-dithiolan-2-yl)benzamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(1,3-dithiolan-2-yl)benzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-4-(1,3-dithiolan-2-yl)benzamide Formula: C22H21N3OS3 MolecularWeight: 439.61664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4SCCS4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4SCCS4)C

InChI

InChI=1S/C22H21N3OS3/c1-14-13-15(2)24-22(23-14)29-19-9-7-18(8-10-19)25-20(26)16-3-5-17(6-4-16)21-27-11-12-28-21/h3-10,13,21H,11-12H2,1-2H3,(H,25,26)