N-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]-4-methylsulfonyl-benzamide Openeye Name: N-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]-4-methylsulfonyl-benzamide CAS Name: N-[4-[(4-methyl-2-pyrimidinyl)thio]phenyl]-4-methylsulfonylbenzamide IUPAC Name: N-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-[4-[(4-methylpyrimidin-2-yl)thio]phenyl]benzamide Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=NC(=NC=C1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H17N3O3S2/c1-13-11-12-20-19(21-13)26-16-7-5-15(6-8-16)22-18(23)14-3-9-17(10-4-14)27(2,24)25/h3-12H,1-2H3,(H,22,23)