2-[(4S)-6-methyl-5-(phenylcarbamoyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitro-phenolate

Systemtic Name: 2-[(4S)-6-methyl-5-(phenylcarbamoyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitro-phenolate Openeye Name: 2-[(4S)-6-methyl-5-(phenylcarbamoyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitro-phenolate CAS Name: 2-[(4S)-5-[anilino(oxo)methyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitrophenolate IUPAC Name: 2-[(4S)-6-methyl-5-(phenylcarbamoyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitrophenolate Traditional Name: 2-[(4S)-6-methyl-5-(phenylcarbamoyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-4-nitro-phenolate Formula: C18H15N4O4S- MolecularWeight: 383.4011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)[N+](=O)[O-])[O-])C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=C(C=CC(=C2)[N+](=O)[O-])[O-])C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H16N4O4S/c1-10-15(17(24)20-11-5-3-2-4-6-11)16(21-18(27)19-10)13-9-12(22(25)26)7-8-14(13)23/h2-9,16,23H,1H3,(H,20,24)(H2,19,21,27)/p-1/t16-/m0/s1