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

Systemtic Name: 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)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: 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)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C20H17N3O3S2/c1-20(11-14-9-5-6-10-15(14)16(24)26-20)17(25)21-18-22-23-19(28-18)27-12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,21,22,25)