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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H19N3O3S2/c1-3-28-21-24-23-20(29-21)22-18(25)14-8-9-16-15(10-14)11-17(27-19(16)26)13-6-4-12(2)5-7-13/h4-10,17H,3,11H2,1-2H3,(H,22,23,25)