2-(hydroxymethyl)-9-propylsulfonyl-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

Systemtic Name: 2-(hydroxymethyl)-9-propylsulfonyl-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one Openeye Name: 2-(hydroxymethyl)-9-propylsulfonyl-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one CAS Name: 2-(hydroxymethyl)-9-propylsulfonyl-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one IUPAC Name: 2-(hydroxymethyl)-9-propylsulfonyl-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one Traditional Name: 2-methylol-9-propylsulfonyl-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC2=C3N=C(NN3C(=O)N=C2C=C1)CO

Isomeric SMILES

CCCS(=O)(=O)C1=CC2=C3N=C(NN3C(=O)N=C2C=C1)CO

InChI

InChI=1S/C13H14N4O4S/c1-2-5-22(20,21)8-3-4-10-9(6-8)12-15-11(7-18)16-17(12)13(19)14-10/h3-4,6,18H,2,5,7H2,1H3,(H,15,16)