4-methylbenzenesulfonic acid; 5-phenyl-2-pyridin-4-yl-1,3-oxazole

Systemtic Name: 4-methylbenzenesulfonic acid; 5-phenyl-2-pyridin-4-yl-1,3-oxazole Openeye Name: 4-methylbenzenesulfonic acid; 5-phenyl-2-(4-pyridyl)oxazole CAS Name: 4-methylbenzenesulfonic acid; 5-phenyl-2-pyridin-4-yloxazole IUPAC Name: 4-methylbenzenesulfonic acid; 5-phenyl-2-pyridin-4-yl-1,3-oxazole Traditional Name: 5-phenyl-2-(4-pyridyl)oxazole; tosylic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=NC=C3

InChI

InChI=1S/C14H10N2O.C7H8O3S/c1-2-4-11(5-3-1)13-10-16-14(17-13)12-6-8-15-9-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H;2-5H,1H3,(H,8,9,10)