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

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[4-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]benzamide Openeye Name: 4-bromo-3,5-dimethoxy-N-[4-[(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]benzamide CAS Name: 4-bromo-3,5-dimethoxy-N-[4-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-thiazolyl]benzamide IUPAC Name: 4-bromo-3,5-dimethoxy-N-[4-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]benzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-[4-[(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]benzamide Formula: C16H16BrN5O3S2 MolecularWeight: 470.36394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)CC2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)OC)Br)OC

Isomeric SMILES

CN1C(=NNC1=S)CC2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)OC)Br)OC

InChI

InChI=1S/C16H16BrN5O3S2/c1-22-12(20-21-16(22)26)6-9-7-27-15(18-9)19-14(23)8-4-10(24-2)13(17)11(5-8)25-3/h4-5,7H,6H2,1-3H3,(H,21,26)(H,18,19,23)