(4-azanylquinazolin-2-yl)methyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C25H20N6O2S MolecularWeight: 468.5303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C25H20N6O2S/c26-23-19-13-7-8-14-20(19)27-21(28-23)15-33-22(32)16-34-25-30-29-24(17-9-3-1-4-10-17)31(25)18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,26,27,28)