(E)-2,3-bis(azanyl)-3-methylsulfanyl-prop-2-enenitrile; 4-methylbenzenesulfonic acid

Systemtic Name: (E)-2,3-bis(azanyl)-3-methylsulfanyl-prop-2-enenitrile; 4-methylbenzenesulfonic acid Openeye Name: (E)-2,3-diamino-3-methylsulfanyl-prop-2-enenitrile; 4-methylbenzenesulfonic acid CAS Name: (E)-2,3-diamino-3-(methylthio)-2-propenenitrile; 4-methylbenzenesulfonic acid IUPAC Name: (E)-2,3-diamino-3-methylsulfanylprop-2-enenitrile; 4-methylbenzenesulfonic acid Traditional Name: (E)-2,3-diamino-3-(methylthio)acrylonitrile; tosylic acid Formula: C11H15N3O3S2 MolecularWeight: 301.3851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CS/C(=C(\C#N)/N)/N

InChI

InChI=1S/C7H8O3S.C4H7N3S/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-4(7)3(6)2-5/h2-5H,1H3,(H,8,9,10);6-7H2,1H3/b;4-3+