5-azanylidene-2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)thiolan-3-one

Systemtic Name: 5-azanylidene-2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)thiolan-3-one Openeye Name: 2-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-tetrahydrothiophen-3-one CAS Name: 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-thiolanone IUPAC Name: 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-iminothiolan-3-one Traditional Name: 2-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-tetrahydrothiophen-3-one Formula: C16H14BrN3O3S2 MolecularWeight: 440.33466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)C2C(=O)C(=CC3=CC(=C(C(=C3)Br)O)OC)SC2=N

Isomeric SMILES

CCC1=NN=C(S1)C2C(=O)C(=CC3=CC(=C(C(=C3)Br)O)OC)SC2=N

InChI

InChI=1S/C16H14BrN3O3S2/c1-3-11-19-20-16(25-11)12-14(22)10(24-15(12)18)6-7-4-8(17)13(21)9(5-7)23-2/h4-6,12,18,21H,3H2,1-2H3