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

Systemtic Name: 3-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-3H-isobenzofuran-1-one CAS Name: 3-[[5-[(2-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]amino]-3H-isobenzofuran-1-one IUPAC Name: 3-[[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-3H-2-benzofuran-1-one Traditional Name: 3-[[5-[(2-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]amino]phthalide Formula: C17H12FN3O2S2 MolecularWeight: 373.424483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=C(S2)NC3C4=CC=CC=C4C(=O)O3)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=C(S2)NC3C4=CC=CC=C4C(=O)O3)F

InChI

InChI=1S/C17H12FN3O2S2/c18-13-8-4-1-5-10(13)9-24-17-21-20-16(25-17)19-14-11-6-2-3-7-12(11)15(22)23-14/h1-8,14H,9H2,(H,19,20)