5-azanylidene-2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)thiolan-3-one

Systemtic Name: 5-azanylidene-2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)thiolan-3-one Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-tetrahydrothiophen-3-one CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-thiolanone IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-iminothiolan-3-one Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-tetrahydrothiophen-3-one Formula: C16H12BrN3O3S2 MolecularWeight: 438.31878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)C2C(=O)C(=CC3=CC4=C(C=C3Br)OCO4)SC2=N

Isomeric SMILES

CCC1=NN=C(S1)C2C(=O)C(=CC3=CC4=C(C=C3Br)OCO4)SC2=N

InChI

InChI=1S/C16H12BrN3O3S2/c1-2-12-19-20-16(25-12)13-14(21)11(24-15(13)18)4-7-3-9-10(5-8(7)17)23-6-22-9/h3-5,13,18H,2,6H2,1H3