2-(ethylsulfanylamino)ethanenitrile; 4-methylbenzenesulfonic acid

Systemtic Name: 2-(ethylsulfanylamino)ethanenitrile; 4-methylbenzenesulfonic acid Openeye Name: 2-(ethylsulfanylamino)acetonitrile; 4-methylbenzenesulfonic acid CAS Name: N-(cyanomethyl)ethanesulfenamide; 4-methylbenzenesulfonic acid IUPAC Name: 2-(ethylsulfanylamino)acetonitrile; 4-methylbenzenesulfonic acid Traditional Name: 2-[(ethylthio)amino]acetonitrile; tosylic acid Formula: C11H16N2O3S2 MolecularWeight: 288.38634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C4H8N2S/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-7-6-4-3-5/h2-5H,1H3,(H,8,9,10);6H,2,4H2,1H3