4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: 4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitro-benzamide CAS Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-3-nitrobenzamide IUPAC Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: 4-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-3-nitro-benzamide Formula: C12H10N4O4S MolecularWeight: 306.2972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O4S/c1-6-4-10(17)15-12(14-6)21-9-3-2-7(11(13)18)5-8(9)16(19)20/h2-5H,1H3,(H2,13,18)(H,14,15,17)