2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C23H17FN6S MolecularWeight: 428.484683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)F)SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)F)SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C23H17FN6S/c24-16-10-12-17(13-11-16)30-22(15-6-2-1-3-7-15)28-29-23(30)31-14-20-26-19-9-5-4-8-18(19)21(25)27-20/h1-13H,14H2,(H2,25,26,27)