5-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1H-pyrazol-3-one

Systemtic Name: 5-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1H-pyrazol-3-one Openeye Name: 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1H-pyrazol-3-one CAS Name: 5-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-(4-fluorophenyl)-1H-pyrazol-3-one IUPAC Name: 5-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1H-pyrazol-3-one Traditional Name: 5-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-(4-fluorophenyl)-3-pyrazolin-3-one Formula: C12H10FN5OS2 MolecularWeight: 323.369103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C=C(N2)CSC3=NN=C(S3)N)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C=C(N2)CSC3=NN=C(S3)N)F

InChI

InChI=1S/C12H10FN5OS2/c13-7-1-3-9(4-2-7)18-10(19)5-8(17-18)6-20-12-16-15-11(14)21-12/h1-5,17H,6H2,(H2,14,15)