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

Systemtic Name: 8-methyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 8-methyl-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 8-methyl-2-[[[4-propyl-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:

CCCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C(=CC=C3)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C(=CC=C3)C)C4=CC=NC=C4

InChI

InChI=1S/C20H20N6OS/c1-3-11-26-18(14-7-9-21-10-8-14)24-25-20(26)28-12-16-22-17-13(2)5-4-6-15(17)19(27)23-16/h4-10H,3,11-12H2,1-2H3,(H,22,23,27)