3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzenecarbonitrile; 4-methylbenzenesulfonic acid

Systemtic Name: 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzenecarbonitrile; 4-methylbenzenesulfonic acid Openeye Name: 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzonitrile; 4-methylbenzenesulfonic acid CAS Name: 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzonitrile; 4-methylbenzenesulfonic acid IUPAC Name: 3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)benzonitrile; 4-methylbenzenesulfonic acid Traditional Name: 3-(2-imidazolin-2-ylmethoxy)benzonitrile; tosylic acid Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN=C(N1)COC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN=C(N1)COC2=CC=CC(=C2)C#N

InChI

InChI=1S/C11H11N3O.C7H8O3S/c12-7-9-2-1-3-10(6-9)15-8-11-13-4-5-14-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6H,4-5,8H2,(H,13,14);2-5H,1H3,(H,8,9,10)