3-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-1H-1,2,4-triazol-5-one Formula: C19H18FN3O2S MolecularWeight: 371.428523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18FN3O2S/c20-16-10-8-15(9-11-16)17(24)7-4-12-26-19-22-21-18(25)23(19)13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2,(H,21,25)