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

Systemtic Name: (6Z)-5-azanylidene-6-[[4-[2-(2-chloranylphenoxy)ethoxy]-3,5-dimethoxy-phenyl]methylidene]-3-(phenylmethylsulfanyl)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Openeye Name: (6Z)-3-benzylsulfanyl-6-[[4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxy-phenyl]methylene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one CAS Name: (6Z)-6-[[4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxyphenyl]methylidene]-5-imino-3-(phenylmethylthio)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one IUPAC Name: (6Z)-3-benzylsulfanyl-6-[[4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxyphenyl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Traditional Name: (6Z)-3-(benzylthio)-6-[4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxy-benzylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Formula: C29H25ClN4O5S2 MolecularWeight: 609.1156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCCOC2=CC=CC=C2Cl)OC)C=C3C(=N)N4C(=NC3=O)SN=C4SCC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OCCOC2=CC=CC=C2Cl)OC)/C=C\3/C(=N)N4C(=NC3=O)SN=C4SCC5=CC=CC=C5

InChI

InChI=1S/C29H25ClN4O5S2/c1-36-23-15-19(16-24(37-2)25(23)39-13-12-38-22-11-7-6-10-21(22)30)14-20-26(31)34-28(32-27(20)35)41-33-29(34)40-17-18-8-4-3-5-9-18/h3-11,14-16,31H,12-13,17H2,1-2H3/b20-14-,31-26?