1-oxidanylidene-3-phenyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: 1-oxidanylidene-3-phenyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dihydroisochromene-6-carboxamide Openeye Name: 1-oxo-3-phenyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)isochromane-6-carboxamide CAS Name: 1-oxo-3-phenyl-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: 1-oxo-3-phenyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dihydroisochromene-6-carboxamide Traditional Name: 1-keto-3-phenyl-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]isochroman-6-carboxamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

InChI

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