6-bromanyl-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: 6-bromanyl-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: 6-bromo-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxo-isochromane-3-carboxamide CAS Name: 6-bromo-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-bromo-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 6-bromo-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-1-keto-isochroman-3-carboxamide Formula: C16H16BrN3O3S2 MolecularWeight: 442.35054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2

InChI

InChI=1S/C16H16BrN3O3S2/c1-2-3-6-24-16-20-19-15(25-16)18-13(21)12-8-9-7-10(17)4-5-11(9)14(22)23-12/h4-5,7,12H,2-3,6,8H2,1H3,(H,18,19,21)