2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]thio]quinazolin-4-olate Formula: C20H18FN4O2S- MolecularWeight: 397.445923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)CSC3=NC4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)CSC3=NC4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C20H19FN4O2S/c21-15-6-2-4-8-17(15)24-9-11-25(12-10-24)18(26)13-28-20-22-16-7-3-1-5-14(16)19(27)23-20/h1-8H,9-13H2,(H,22,23,27)/p-1