N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-2-methyl-3-nitro-benzamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C20H18N4O3S/c1-12-11-13(2)22-20(21-12)28-16-9-7-15(8-10-16)23-19(25)17-5-4-6-18(14(17)3)24(26)27/h4-11H,1-3H3,(H,23,25)