3-(3-methylimidazol-3-ium-1-yl)propyl N,N-diphenylcarbamodithioate

Systemtic Name: 3-(3-methylimidazol-3-ium-1-yl)propyl N,N-diphenylcarbamodithioate Openeye Name: 3-(3-methylimidazol-3-ium-1-yl)propyl N,N-diphenylcarbamodithioate CAS Name: N,N-diphenylcarbamodithioic acid 3-(3-methyl-1-imidazol-3-iumyl)propyl ester IUPAC Name: 3-(3-methylimidazol-3-ium-1-yl)propyl N,N-diphenylcarbamodithioate Traditional Name: N,N-diphenylcarbamodithioic acid 3-(3-methylimidazol-3-ium-1-yl)propyl ester Formula: C20H22N3S2+ MolecularWeight: 368.53878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N3S2/c1-21-14-15-22(17-21)13-8-16-25-20(24)23(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,14-15,17H,8,13,16H2,1H3/q+1