N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3,6-dimethyl-1-oxidanylidene-4H-isochromene-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)C2(CC3=C(C=CC(=C3)C)C(=O)O2)C

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)C2(CC3=C(C=CC(=C3)C)C(=O)O2)C

InChI

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