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

Systemtic Name: 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]-3H-2-benzofuran-1-one Openeye Name: 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]-3H-isobenzofuran-1-one CAS Name: 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]-3H-isobenzofuran-1-one IUPAC Name: 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]-3H-2-benzofuran-1-one Traditional Name: 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]phthalide Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC2C3=CC=CC=C3C(=O)O2

Isomeric SMILES

CCCC1=NN=C(S1)NC2C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C13H13N3O2S/c1-2-5-10-15-16-13(19-10)14-11-8-6-3-4-7-9(8)12(17)18-11/h3-4,6-7,11H,2,5H2,1H3,(H,14,16)