3-prop-2-enyl-2-sulfanylidene-7-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-quinazolin-4-olate

Systemtic Name: 3-prop-2-enyl-2-sulfanylidene-7-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-quinazolin-4-olate Openeye Name: 3-allyl-2-thioxo-7-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]quinazolin-4-olate CAS Name: 7-[oxo-[4-(2,2,2-trifluoroethyl)-1-piperazinyl]methyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-prop-2-enyl-2-sulfanylidene-7-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]quinazolin-4-olate Traditional Name: 3-allyl-2-thioxo-7-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]quinazolin-4-olate Formula: C18H18F3N4O2S- MolecularWeight: 411.42133

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CCN(CC3)CC(F)(F)F)[O-]

Isomeric SMILES

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CCN(CC3)CC(F)(F)F)[O-]

InChI

InChI=1S/C18H19F3N4O2S/c1-2-5-25-16(27)13-4-3-12(10-14(13)22-17(25)28)15(26)24-8-6-23(7-9-24)11-18(19,20)21/h2-4,10,27H,1,5-9,11H2/p-1