3-tert-butyl-5-phenyl-1-(phenylmethyl)imidazol-3-ium-4-thiolate

Systemtic Name: 3-tert-butyl-5-phenyl-1-(phenylmethyl)imidazol-3-ium-4-thiolate Openeye Name: 1-benzyl-3-tert-butyl-5-phenyl-imidazol-3-ium-4-thiolate CAS Name: 3-tert-butyl-5-phenyl-1-(phenylmethyl)-4-imidazol-3-iumthiolate IUPAC Name: 1-benzyl-3-tert-butyl-5-phenylimidazol-3-ium-4-thiolate Traditional Name: 1-benzyl-3-tert-butyl-5-phenyl-imidazol-3-ium-4-thiolate Formula: C20H22N2S MolecularWeight: 322.46708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=CN(C(=C1[S-])C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[N+]1=CN(C(=C1[S-])C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2S/c1-20(2,3)22-15-21(14-16-10-6-4-7-11-16)18(19(22)23)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3