2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=NC=C4

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=NC=C4

InChI

InChI=1S/C20H20N6OS/c1-13(2)11-26-18(14-7-9-21-10-8-14)24-25-20(26)28-12-17-22-16-6-4-3-5-15(16)19(27)23-17/h3-10,13H,11-12H2,1-2H3,(H,22,23,27)