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

Systemtic Name: 3,6-dimethyl-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)-3,6-dimethyl-1-oxo-isochromane-3-carboxamide CAS Name: 3,6-dimethyl-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)-3,6-dimethyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-1-keto-3,6-dimethyl-isochroman-3-carboxamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3S2/c1-13-8-9-16-15(10-13)11-21(2,27-17(16)25)18(26)22-19-23-24-20(29-19)28-12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,22,23,26)