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

Systemtic Name: 1-oxidanylidene-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]isochromene-3-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxo-isochromene-3-carboxamide CAS Name: 1-oxo-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2-benzopyran-3-carboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxoisochromene-3-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-1-keto-isochromene-3-carboxamide Formula: C19H13N3O3S2 MolecularWeight: 395.45482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C19H13N3O3S2/c23-16(15-10-13-8-4-5-9-14(13)17(24)25-15)20-18-21-22-19(27-18)26-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,20,21,23)