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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)SC4=C(C=C(C=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)SC4=C(C=C(C=C4)C(F)(F)F)C(F)(F)F

InChI

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