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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C26H24N6OS MolecularWeight: 468.57336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C26H24N6OS/c1-33-20-13-11-19(12-14-20)25-30-31-26(32(25)16-15-18-7-3-2-4-8-18)34-17-23-28-22-10-6-5-9-21(22)24(27)29-23/h2-14H,15-17H2,1H3,(H2,27,28,29)