(6Z)-5-azanylidene-6-[(5-chloranyl-2-phenylmethoxy-phenyl)methylidene]-3-(phenylmethylsulfanyl)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Systemtic Name: (6Z)-5-azanylidene-6-[(5-chloranyl-2-phenylmethoxy-phenyl)methylidene]-3-(phenylmethylsulfanyl)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Openeye Name: (6Z)-6-[(2-benzyloxy-5-chloro-phenyl)methylene]-3-benzylsulfanyl-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one CAS Name: (6Z)-6-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-5-imino-3-(phenylmethylthio)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one IUPAC Name: (6Z)-3-benzylsulfanyl-6-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Traditional Name: (6Z)-6-(2-benzoxy-5-chloro-benzylidene)-3-(benzylthio)-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Formula: C26H19ClN4O2S2 MolecularWeight: 519.03766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C=C3C(=N)N4C(=NC3=O)SN=C4SCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)/C=C\3/C(=N)N4C(=NC3=O)SN=C4SCC5=CC=CC=C5

InChI

InChI=1S/C26H19ClN4O2S2/c27-20-11-12-22(33-15-17-7-3-1-4-8-17)19(13-20)14-21-23(28)31-25(29-24(21)32)35-30-26(31)34-16-18-9-5-2-6-10-18/h1-14,28H,15-16H2/b21-14-,28-23?