5-azanylidene-6-[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 5-azanylidene-6-[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 6-[[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 6-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 6-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 6-[3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C21H17BrN4O3S MolecularWeight: 485.35368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C=C3C(=N)N4C(=NC3=O)SC=N4)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C=C3C(=N)N4C(=NC3=O)SC=N4)OC

InChI

InChI=1S/C21H17BrN4O3S/c1-12-3-5-13(6-4-12)10-29-18-16(22)8-14(9-17(18)28-2)7-15-19(23)26-21(25-20(15)27)30-11-24-26/h3-9,11,23H,10H2,1-2H3