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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[5-(2-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[5-(2-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C25H22N6OS MolecularWeight: 454.54678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N)C5=CC=CC=C5OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N)C5=CC=CC=C5OC

InChI

InChI=1S/C25H22N6OS/c1-16-11-13-17(14-12-16)31-24(19-8-4-6-10-21(19)32-2)29-30-25(31)33-15-22-27-20-9-5-3-7-18(20)23(26)28-22/h3-14H,15H2,1-2H3,(H2,26,27,28)