(6E)-5-azanylidene-6-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: (6E)-5-azanylidene-6-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-6-[[5-(4-bromophenyl)-2-furyl]methylene]-2-(1-ethylpropyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-6-[[5-(4-bromophenyl)-2-furanyl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-6-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-6-[[5-(4-bromophenyl)-2-furyl]methylene]-2-(1-ethylpropyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN2C(=N)C(=CC3=CC=C(O3)C4=CC=C(C=C4)Br)C(=O)N=C2S1

Isomeric SMILES

CCC(CC)C1=NN2C(=N)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)Br)/C(=O)N=C2S1

InChI

InChI=1S/C21H19BrN4O2S/c1-3-12(4-2)20-25-26-18(23)16(19(27)24-21(26)29-20)11-15-9-10-17(28-15)13-5-7-14(22)8-6-13/h5-12,23H,3-4H2,1-2H3/b16-11+,23-18?