4-methylbenzenesulfonic acid; 5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one

Systemtic Name: 4-methylbenzenesulfonic acid; 5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one Openeye Name: 4-methylbenzenesulfonic acid; 5-methyl-6-(4-pyridyl)-4H-1,4-thiazin-3-one CAS Name: 4-methylbenzenesulfonic acid; 5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one IUPAC Name: 4-methylbenzenesulfonic acid; 5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one Traditional Name: 5-methyl-6-(4-pyridyl)-4H-1,4-thiazin-3-one; tosylic acid Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(SCC(=O)N1)C2=CC=NC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(SCC(=O)N1)C2=CC=NC=C2

InChI

InChI=1S/C10H10N2OS.C7H8O3S/c1-7-10(14-6-9(13)12-7)8-2-4-11-5-3-8;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,6H2,1H3,(H,12,13);2-5H,1H3,(H,8,9,10)