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

Systemtic Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=NC=C4

InChI

InChI=1S/C19H18N6OS/c1-2-11-25-17(13-7-9-20-10-8-13)23-24-19(25)27-12-16-21-15-6-4-3-5-14(15)18(26)22-16/h3-10H,2,11-12H2,1H3,(H,21,22,26)