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

Systemtic Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C24H20N6OS MolecularWeight: 440.5202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C24H20N6OS/c1-31-18-11-7-8-16(14-18)23-28-29-24(30(23)17-9-3-2-4-10-17)32-15-21-26-20-13-6-5-12-19(20)22(25)27-21/h2-14H,15H2,1H3,(H2,25,26,27)