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

Systemtic Name: 3-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C20H20FN3O2S MolecularWeight: 385.455103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O2S/c21-17-10-8-16(9-11-17)18(25)7-4-14-27-20-23-22-19(26)24(20)13-12-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,22,26)