methanesulfonic acid; 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanenitrile

Systemtic Name: methanesulfonic acid; 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanenitrile Openeye Name: methanesulfonic acid; 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile CAS Name: methanesulfonic acid; 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile IUPAC Name: methanesulfonic acid; 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile Traditional Name: mesylic acid; 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=CC=CC=C2)CC#N.CS(=O)(=O)O

Isomeric SMILES

CC1=C(N=C(N1)C2=CC=CC=C2)CC#N.CS(=O)(=O)O

InChI

InChI=1S/C12H11N3.CH4O3S/c1-9-11(7-8-13)15-12(14-9)10-5-3-2-4-6-10;1-5(2,3)4/h2-6H,7H2,1H3,(H,14,15);1H3,(H,2,3,4)