1-butyl-N-phenyl-3-(phenylmethyl)imidazol-3-ium-2-carboximidothioate

Systemtic Name: 1-butyl-N-phenyl-3-(phenylmethyl)imidazol-3-ium-2-carboximidothioate Openeye Name: 1-benzyl-3-butyl-N-phenyl-imidazol-1-ium-2-carboximidothioate CAS Name: 1-butyl-N-phenyl-3-(phenylmethyl)-2-imidazol-3-iumcarboximidothioate IUPAC Name: 1-benzyl-3-butyl-N-phenylimidazol-1-ium-2-carboximidothioate Traditional Name: 1-benzyl-3-butyl-N-phenyl-imidazol-1-ium-2-carboximidothioate Formula: C21H23N3S MolecularWeight: 349.49242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1C(=NC2=CC=CC=C2)[S-])CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C=C[N+](=C1C(=NC2=CC=CC=C2)[S-])CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3S/c1-2-3-14-23-15-16-24(17-18-10-6-4-7-11-18)21(23)20(25)22-19-12-8-5-9-13-19/h4-13,15-16H,2-3,14,17H2,1H3