6-bromanyl-3-methyl-1-oxidanylidene-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4H-isochromene-3-carboxamide

Systemtic Name: 6-bromanyl-3-methyl-1-oxidanylidene-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4H-isochromene-3-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-6-bromo-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: 6-bromo-3-methyl-1-oxo-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-6-bromo-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-6-bromo-1-keto-3-methyl-isochroman-3-carboxamide Formula: C20H16BrN3O3S2 MolecularWeight: 490.39334

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2)Br)C(=O)O1)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

CC1(CC2=C(C=CC(=C2)Br)C(=O)O1)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C20H16BrN3O3S2/c1-20(10-13-9-14(21)7-8-15(13)16(25)27-20)17(26)22-18-23-24-19(29-18)28-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,22,23,26)