3-[5-[[5-azanylidene-7-oxidanylidene-3-(phenylmethylsulfanyl)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[[5-azanylidene-7-oxidanylidene-3-(phenylmethylsulfanyl)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(3-benzylsulfanyl-5-imino-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[[5-imino-7-oxo-3-(phenylmethylthio)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(3-benzylsulfanyl-5-imino-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[[3-(benzylthio)-5-imino-7-keto-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl]-2-furyl]benzoic acid Formula: C24H16N4O4S2 MolecularWeight: 488.53824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NSC3=NC(=O)C(=CC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)C(=N)N32

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NSC3=NC(=O)C(=CC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)C(=N)N32

InChI

InChI=1S/C24H16N4O4S2/c25-20-18(12-17-9-10-19(32-17)15-7-4-8-16(11-15)22(30)31)21(29)26-23-28(20)24(27-34-23)33-13-14-5-2-1-3-6-14/h1-12,25H,13H2,(H,30,31)