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

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(1,3-dithian-2-yl)benzamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(1,3-dithian-2-yl)benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-4-(1,3-dithian-2-yl)benzamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(1,3-dithian-2-yl)benzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-4-(1,3-dithian-2-yl)benzamide Formula: C23H23N3OS3 MolecularWeight: 453.64322

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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)C4SCCCS4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4SCCCS4)C

InChI

InChI=1S/C23H23N3OS3/c1-15-14-16(2)25-23(24-15)30-20-10-8-19(9-11-20)26-21(27)17-4-6-18(7-5-17)22-28-12-3-13-29-22/h4-11,14,22H,3,12-13H2,1-2H3,(H,26,27)