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

Systemtic Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxo-isochromane-3-carboxamide CAS Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-1-keto-isochroman-3-carboxamide Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)C2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)C2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C16H17N3O3S2/c1-2-3-8-23-16-19-18-15(24-16)17-13(20)12-9-10-6-4-5-7-11(10)14(21)22-12/h4-7,12H,2-3,8-9H2,1H3,(H,17,18,20)