4-methylbenzenesulfonic acid; 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

Systemtic Name: 4-methylbenzenesulfonic acid; 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine Openeye Name: 4-methylbenzenesulfonic acid; 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine CAS Name: 4-methylbenzenesulfonic acid; 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine IUPAC Name: 4-methylbenzenesulfonic acid; 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine Traditional Name: 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamine; tosylic acid Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NOC(=N1)CCN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NOC(=N1)CCN

InChI

InChI=1S/C7H8O3S.C5H9N3O/c1-6-2-4-7(5-3-6)11(8,9)10;1-4-7-5(2-3-6)9-8-4/h2-5H,1H3,(H,8,9,10);2-3,6H2,1H3