5-azanylidene-2-[(3-bromanyl-4,5-dimethoxy-phenyl)methylidene]-4-(1,3-thiazol-2-yl)thiolan-3-one

Systemtic Name: 5-azanylidene-2-[(3-bromanyl-4,5-dimethoxy-phenyl)methylidene]-4-(1,3-thiazol-2-yl)thiolan-3-one Openeye Name: 2-[(3-bromo-4,5-dimethoxy-phenyl)methylene]-5-imino-4-thiazol-2-yl-tetrahydrothiophen-3-one CAS Name: 2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-5-imino-4-(2-thiazolyl)-3-thiolanone IUPAC Name: 2-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-5-imino-4-(1,3-thiazol-2-yl)thiolan-3-one Traditional Name: 2-(3-bromo-4,5-dimethoxy-benzylidene)-5-imino-4-thiazol-2-yl-tetrahydrothiophen-3-one Formula: C16H13BrN2O3S2 MolecularWeight: 425.32002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)C(C(=N)S2)C3=NC=CS3)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)C(C(=N)S2)C3=NC=CS3)Br)OC

InChI

InChI=1S/C16H13BrN2O3S2/c1-21-10-6-8(5-9(17)14(10)22-2)7-11-13(20)12(15(18)24-11)16-19-3-4-23-16/h3-7,12,18H,1-2H3