4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-benzamide

Systemtic Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-benzamide Openeye Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-benzamide CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-nitrobenzamide IUPAC Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitrobenzamide Traditional Name: 4-[(4,6-dimethylpyrimidin-2-yl)thio]-3-nitro-benzamide Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O3S/c1-7-5-8(2)16-13(15-7)21-11-4-3-9(12(14)18)6-10(11)17(19)20/h3-6H,1-2H3,(H2,14,18)