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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H15N5O3S/c1-24-17(11-6-7-14-15(8-11)27-10-26-14)22-23-19(24)28-9-16-20-13-5-3-2-4-12(13)18(25)21-16/h2-8H,9-10H2,1H3,(H,20,21,25)