4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitro-benzamide

Systemtic Name: 4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitro-benzamide Openeye Name: 4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitro-benzamide CAS Name: 4-[(4-methyl-2-pyrimidinyl)thio]-3-nitrobenzamide IUPAC Name: 4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitrobenzamide Traditional Name: 4-[(4-methylpyrimidin-2-yl)thio]-3-nitro-benzamide Formula: C12H10N4O3S MolecularWeight: 290.2978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O3S/c1-7-4-5-14-12(15-7)20-10-3-2-8(11(13)17)6-9(10)16(18)19/h2-6H,1H3,(H2,13,17)