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

Systemtic Name: 6-bromanyl-1-oxidanylidene-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-6-bromo-1-oxo-isochromane-3-carboxamide CAS Name: 6-bromo-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-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-6-bromo-1-keto-isochroman-3-carboxamide Formula: C19H14BrN3O3S2 MolecularWeight: 476.36676

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)Br)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

C1C(OC(=O)C2=C1C=C(C=C2)Br)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C19H14BrN3O3S2/c20-13-6-7-14-12(8-13)9-15(26-17(14)25)16(24)21-18-22-23-19(28-18)27-10-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H,21,22,24)