N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

Systemtic Name: N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine Openeye Name: N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine CAS Name: N-[3-(methylthio)-1H-1,2,4-triazol-5-yl]-2-[2-(trifluoromethyl)phenyl]-4-quinazolinamine IUPAC Name: N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine Traditional Name: [3-(methylthio)-1H-1,2,4-triazol-5-yl]-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amine Formula: C18H13F3N6S MolecularWeight: 402.39623

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CSC1=NNC(=N1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C18H13F3N6S/c1-28-17-25-16(26-27-17)24-15-11-7-3-5-9-13(11)22-14(23-15)10-6-2-4-8-12(10)18(19,20)21/h2-9H,1H3,(H2,22,23,24,25,26,27)