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

Systemtic Name: 5-azanylidene-6-[(3,4-dimethoxyphenyl)methylidene]-3-(phenylmethylsulfanyl)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Openeye Name: 3-benzylsulfanyl-6-[(3,4-dimethoxyphenyl)methylene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one CAS Name: 6-[(3,4-dimethoxyphenyl)methylidene]-5-imino-3-(phenylmethylthio)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one IUPAC Name: 3-benzylsulfanyl-6-[(3,4-dimethoxyphenyl)methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Traditional Name: 3-(benzylthio)-5-imino-6-veratrylidene-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=N)N3C(=NC2=O)SN=C3SCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2C(=N)N3C(=NC2=O)SN=C3SCC4=CC=CC=C4)OC

InChI

InChI=1S/C21H18N4O3S2/c1-27-16-9-8-14(11-17(16)28-2)10-15-18(22)25-20(23-19(15)26)30-24-21(25)29-12-13-6-4-3-5-7-13/h3-11,22H,12H2,1-2H3