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

Systemtic Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C

InChI

InChI=1S/C17H19N3O3S2/c1-3-4-9-24-16-20-19-15(25-16)18-14(22)17(2)10-11-7-5-6-8-12(11)13(21)23-17/h5-8H,3-4,9-10H2,1-2H3,(H,18,19,22)