2-(6-dibenzothiophen-2-yl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl)ethanoic acid

Systemtic Name: 2-(6-dibenzothiophen-2-yl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl)ethanoic acid Openeye Name: 2-(6-dibenzothiophen-2-yl-4-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl)acetic acid CAS Name: 2-[6-(2-dibenzothiophenyl)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-(6-dibenzothiophen-2-yl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl)acetic acid Traditional Name: 2-(6-dibenzothiophen-2-yl-4-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl)acetic acid Formula: C24H18N2O2S2 MolecularWeight: 430.54192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=C(NC(=S)N2)C3=CC4=C(C=C3)SC5=CC=CC=C54)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2C(=C(NC(=S)N2)C3=CC4=C(C=C3)SC5=CC=CC=C54)CC(=O)O

InChI

InChI=1S/C24H18N2O2S2/c27-21(28)13-18-22(14-6-2-1-3-7-14)25-24(29)26-23(18)15-10-11-20-17(12-15)16-8-4-5-9-19(16)30-20/h1-12,22H,13H2,(H,27,28)(H2,25,26,29)