1-[4-(4-methoxy-3-nitro-phenyl)-6-methyl-2-sulfanylidene-1H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(4-methoxy-3-nitro-phenyl)-6-methyl-2-sulfanylidene-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(4-methoxy-3-nitro-phenyl)-6-methyl-2-thioxo-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(4-methoxy-3-nitrophenyl)-6-methyl-2-sulfanylidene-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(4-methoxy-3-nitrophenyl)-6-methyl-2-sulfanylidene-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(4-methoxy-3-nitro-phenyl)-6-methyl-2-thioxo-1H-pyrimidin-5-yl]ethanone Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4S/c1-7-12(8(2)18)13(16-14(22)15-7)9-4-5-11(21-3)10(6-9)17(19)20/h4-6H,1-3H3,(H,15,16,22)