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

Systemtic Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-6-ethyl-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-6-ethyl-1-oxo-isochromane-3-carboxamide CAS Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-6-ethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-6-ethyl-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-6-ethyl-1-keto-isochroman-3-carboxamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)C2CC3=C(C=CC(=C3)CC)C(=O)O2

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)C2CC3=C(C=CC(=C3)CC)C(=O)O2

InChI

InChI=1S/C18H21N3O3S2/c1-3-5-8-25-18-21-20-17(26-18)19-15(22)14-10-12-9-11(4-2)6-7-13(12)16(23)24-14/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,19,20,22)