4-methylbenzenesulfonic acid; 2-pyridin-4-yl-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

Systemtic Name: 4-methylbenzenesulfonic acid; 2-pyridin-4-yl-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one Openeye Name: 4-methylbenzenesulfonic acid; 2-(4-pyridyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one CAS Name: 4-methylbenzenesulfonic acid; 2-pyridin-4-yl-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one IUPAC Name: 4-methylbenzenesulfonic acid; 2-pyridin-4-yl-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one Traditional Name: 2-(4-pyridyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-5-one; tosylic acid Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C3N=C(NN3C(=O)N=C2C=C1)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C3N=C(NN3C(=O)N=C2C=C1)C4=CC=NC=C4

InChI

InChI=1S/C14H9N5O.C7H8O3S/c20-14-16-11-4-2-1-3-10(11)13-17-12(18-19(13)14)9-5-7-15-8-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H,(H,17,18);2-5H,1H3,(H,8,9,10)