5-methyl-6-[(3-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-methyl-6-[(3-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-methyl-6-[(3-nitrophenyl)methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-methyl-6-[(3-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-methyl-6-[(3-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-methyl-6-(3-nitrobenzyl)-2-thioxo-1H-pyrimidin-4-one Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=S)NC1=O)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=S)NC1=O)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O3S/c1-7-10(13-12(19)14-11(7)16)6-8-3-2-4-9(5-8)15(17)18/h2-5H,6H2,1H3,(H2,13,14,16,19)