1-[6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[6-methyl-4-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[6-methyl-4-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C13H13N3O3S MolecularWeight: 291.32562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3S/c1-7-11(8(2)17)12(15-13(20)14-7)9-4-3-5-10(6-9)16(18)19/h3-6,12H,1-2H3,(H2,14,15,20)