5-bromanyl-N-[4-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-N-[4-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-N-[4-[(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]benzofuran-2-carboxamide CAS Name: 5-bromo-N-[4-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-thiazolyl]-2-benzofurancarboxamide IUPAC Name: 5-bromo-N-[4-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-N-[4-[(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]coumarilamide Formula: C16H12BrN5O2S2 MolecularWeight: 450.33278

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)CC2=CSC(=N2)NC(=O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CN1C(=NNC1=S)CC2=CSC(=N2)NC(=O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C16H12BrN5O2S2/c1-22-13(20-21-16(22)25)6-10-7-26-15(18-10)19-14(23)12-5-8-4-9(17)2-3-11(8)24-12/h2-5,7H,6H2,1H3,(H,21,25)(H,18,19,23)