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

Systemtic Name: 4-nitro-2-[(6S)-4-phenyl-2-sulfanylidene-5,6-dihydro-1H-pyrimidin-6-yl]phenolate Openeye Name: 4-nitro-2-[(6S)-4-phenyl-2-thioxo-5,6-dihydro-1H-pyrimidin-6-yl]phenolate CAS Name: 4-nitro-2-[(6S)-4-phenyl-2-sulfanylidene-5,6-dihydro-1H-pyrimidin-6-yl]phenolate IUPAC Name: 4-nitro-2-[(6S)-4-phenyl-2-sulfanylidene-5,6-dihydro-1H-pyrimidin-6-yl]phenolate Traditional Name: 4-nitro-2-[(6S)-4-phenyl-2-thioxo-5,6-dihydro-1H-pyrimidin-6-yl]phenolate Formula: C16H12N3O3S- MolecularWeight: 326.34978

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=S)N=C1C2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1[C@H](NC(=S)N=C1C2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H13N3O3S/c20-15-7-6-11(19(21)22)8-12(15)14-9-13(17-16(23)18-14)10-4-2-1-3-5-10/h1-8,14,20H,9H2,(H,18,23)/p-1/t14-/m0/s1