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

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)-1-oxidanylidene-3,4-dihydroisochromene-6-carboxamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-(p-tolyl)isochromane-6-carboxamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-keto-3-(p-tolyl)isochroman-6-carboxamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H19N3O3S/c1-3-18-23-24-21(28-18)22-19(25)14-8-9-16-15(10-14)11-17(27-20(16)26)13-6-4-12(2)5-7-13/h4-10,17H,3,11H2,1-2H3,(H,22,24,25)