5-bromanyl-N-[4-oxidanylidene-6-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[4-oxidanylidene-6-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide Openeye Name: N-(6-benzyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-5-bromo-furan-2-carboxamide CAS Name: 5-bromo-N-[4-oxo-6-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl]-2-furancarboxamide IUPAC Name: N-(6-benzyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)-5-bromofuran-2-carboxamide Traditional Name: N-(6-benzyl-4-keto-2-thioxo-1H-thieno[2,3-d]pyrimidin-3-yl)-5-bromo-2-furamide Formula: C18H12BrN3O3S2 MolecularWeight: 462.34018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC3=C(S2)NC(=S)N(C3=O)NC(=O)C4=CC=C(O4)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC3=C(S2)NC(=S)N(C3=O)NC(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C18H12BrN3O3S2/c19-14-7-6-13(25-14)15(23)21-22-17(24)12-9-11(27-16(12)20-18(22)26)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,20,26)(H,21,23)