4-methylbenzenesulfonic acid; 2-(prop-2-enylsulfanylamino)ethanenitrile

Systemtic Name: 4-methylbenzenesulfonic acid; 2-(prop-2-enylsulfanylamino)ethanenitrile Openeye Name: 2-(allylsulfanylamino)acetonitrile; 4-methylbenzenesulfonic acid CAS Name: N-(cyanomethyl)-2-propene-1-sulfenamide; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; 2-(prop-2-enylsulfanylamino)acetonitrile Traditional Name: 2-[(allylthio)amino]acetonitrile; tosylic acid Formula: C12H16N2O3S2 MolecularWeight: 300.39704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C=CCSNCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C=CCSNCC#N

InChI

InChI=1S/C7H8O3S.C5H8N2S/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-5-8-7-4-3-6/h2-5H,1H3,(H,8,9,10);2,7H,1,4-5H2