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

Systemtic Name: 3-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-3H-isobenzofuran-1-one CAS Name: 3-[[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]amino]-3H-isobenzofuran-1-one IUPAC Name: 3-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-3H-2-benzofuran-1-one Traditional Name: 3-[[5-[(4-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=C2C(=C1)C(OC2=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(OC2=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)F

InChI

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