2-[2,4-bis(trifluoromethyl)phenyl]sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

Systemtic Name: 2-[2,4-bis(trifluoromethyl)phenyl]sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine Openeye Name: 2-[2,4-bis(trifluoromethyl)phenyl]sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine CAS Name: 2-[[2,4-bis(trifluoromethyl)phenyl]thio]-5-(5-methyl-1H-pyrazol-3-yl)-4-quinazolinamine IUPAC Name: 2-[2,4-bis(trifluoromethyl)phenyl]sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine Traditional Name: [2-[[2,4-bis(trifluoromethyl)phenyl]thio]-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-yl]amine Formula: C20H13F6N5S MolecularWeight: 469.406139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C2=C3C(=CC=C2)N=C(N=C3N)SC4=C(C=C(C=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1)C2=C3C(=CC=C2)N=C(N=C3N)SC4=C(C=C(C=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H13F6N5S/c1-9-7-14(31-30-9)11-3-2-4-13-16(11)17(27)29-18(28-13)32-15-6-5-10(19(21,22)23)8-12(15)20(24,25)26/h2-8H,1H3,(H,30,31)(H2,27,28,29)