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

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C19H18N6O2S2 MolecularWeight: 426.51522

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=NC3=CC=CC=C3C(=N2)N)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=NC3=CC=CC=C3C(=N2)N)C4=CC=CS4

InChI

InChI=1S/C19H18N6O2S2/c1-2-25-18(14-8-5-9-28-14)23-24-19(25)29-11-16(26)27-10-15-21-13-7-4-3-6-12(13)17(20)22-15/h3-9H,2,10-11H2,1H3,(H2,20,21,22)