2-[2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-[[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-3-yl]acetamide Formula: C25H21N7O3S MolecularWeight: 499.54434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)C5=CC=NC=C5

InChI

InChI=1S/C25H21N7O3S/c1-35-18-8-6-17(7-9-18)32-23(16-10-12-27-13-11-16)29-30-25(32)36-15-22-28-20-5-3-2-4-19(20)24(34)31(22)14-21(26)33/h2-13H,14-15H2,1H3,(H2,26,33)