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

Systemtic Name: ethyl 2-[4-methyl-5-(2-pyridin-4-ylquinazolin-4-yl)sulfanyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-methyl-5-[2-(4-pyridyl)quinazolin-4-yl]sulfanyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-methyl-5-[(2-pyridin-4-yl-4-quinazolinyl)thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-5-(2-pyridin-4-ylquinazolin-4-yl)sulfanyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-methyl-5-[[2-(4-pyridyl)quinazolin-4-yl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C20H18N6O2S/c1-3-28-17(27)12-16-24-25-20(26(16)2)29-19-14-6-4-5-7-15(14)22-18(23-19)13-8-10-21-11-9-13/h4-11H,3,12H2,1-2H3