benzenecarbonitrile; N-[(4-methylsulfonylphenyl)methyl]imidazol-1-amine

Systemtic Name: benzenecarbonitrile; N-[(4-methylsulfonylphenyl)methyl]imidazol-1-amine Openeye Name: benzonitrile; N-[(4-methylsulfonylphenyl)methyl]imidazol-1-amine CAS Name: benzonitrile; N-[(4-methylsulfonylphenyl)methyl]-1-imidazolamine IUPAC Name: benzonitrile; N-[(4-methylsulfonylphenyl)methyl]imidazol-1-amine Traditional Name: benzonitrile; imidazol-1-yl-(4-mesylbenzyl)amine Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNN2C=CN=C2.C1=CC=C(C=C1)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNN2C=CN=C2.C1=CC=C(C=C1)C#N

InChI

InChI=1S/C11H13N3O2S.C7H5N/c1-17(15,16)11-4-2-10(3-5-11)8-13-14-7-6-12-9-14;8-6-7-4-2-1-3-5-7/h2-7,9,13H,8H2,1H3;1-5H