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

Systemtic Name: 1-[6-methyl-4-(4-methyl-3-nitro-phenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[6-methyl-4-(4-methyl-3-nitro-phenyl)-2-thioxo-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[6-methyl-4-(4-methyl-3-nitrophenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[6-methyl-4-(4-methyl-3-nitrophenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[6-methyl-4-(4-methyl-3-nitro-phenyl)-2-thioxo-1H-pyrimidin-5-yl]ethanone Formula: C14H13N3O3S MolecularWeight: 303.33632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=S)NC(=C2C(=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=S)NC(=C2C(=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O3S/c1-7-4-5-10(6-11(7)17(19)20)13-12(9(3)18)8(2)15-14(21)16-13/h4-6H,1-3H3,(H,15,16,21)