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

Systemtic Name: 6-bromanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: 6-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxo-isochromane-3-carboxamide CAS Name: 6-bromo-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 6-bromo-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1-keto-isochroman-3-carboxamide Formula: C14H12BrN3O3S2 MolecularWeight: 414.29738

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2

InChI

InChI=1S/C14H12BrN3O3S2/c1-2-22-14-18-17-13(23-14)16-11(19)10-6-7-5-8(15)3-4-9(7)12(20)21-10/h3-5,10H,2,6H2,1H3,(H,16,17,19)