1-[6-methyl-4-methylsulfanyl-1-(4-nitrophenyl)-2-sulfanylidene-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[6-methyl-4-methylsulfanyl-1-(4-nitrophenyl)-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[6-methyl-4-methylsulfanyl-1-(4-nitrophenyl)-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[6-methyl-4-(methylthio)-1-(4-nitrophenyl)-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[6-methyl-4-methylsulfanyl-1-(4-nitrophenyl)-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[6-methyl-4-(methylthio)-1-(4-nitrophenyl)-2-thioxo-pyrimidin-5-yl]ethanone Formula: C14H13N3O3S2 MolecularWeight: 335.40132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=S)N1C2=CC=C(C=C2)[N+](=O)[O-])SC)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=S)N1C2=CC=C(C=C2)[N+](=O)[O-])SC)C(=O)C

InChI

InChI=1S/C14H13N3O3S2/c1-8-12(9(2)18)13(22-3)15-14(21)16(8)10-4-6-11(7-5-10)17(19)20/h4-7H,1-3H3