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

Systemtic Name: 5-azanylidene-6-[(3-chloranyl-4-phenylmethoxy-phenyl)methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[(4-benzyloxy-3-chloro-phenyl)methylene]-5-imino-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(3-pyridinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-(4-benzoxy-3-chloro-benzylidene)-5-imino-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C24H16ClN5O2S MolecularWeight: 473.93414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)Cl

InChI

InChI=1S/C24H16ClN5O2S/c25-19-12-16(8-9-20(19)32-14-15-5-2-1-3-6-15)11-18-21(26)30-24(28-22(18)31)33-23(29-30)17-7-4-10-27-13-17/h1-13,26H,14H2