3-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3H-2-benzofuran-1-one

Systemtic Name: 3-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3H-2-benzofuran-1-one Openeye Name: 3-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3H-isobenzofuran-1-one CAS Name: 3-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]amino]-3H-isobenzofuran-1-one IUPAC Name: 3-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3H-2-benzofuran-1-one Traditional Name: 3-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]amino]phthalide Formula: C14H15N3O2S2 MolecularWeight: 321.4178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC2C3=CC=CC=C3C(=O)O2

Isomeric SMILES

CCCCSC1=NN=C(S1)NC2C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C14H15N3O2S2/c1-2-3-8-20-14-17-16-13(21-14)15-11-9-6-4-5-7-10(9)12(18)19-11/h4-7,11H,2-3,8H2,1H3,(H,15,16)