[1-(2-bromanyl-4-methyl-phenyl)-5-methyl-5-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-ylidene]-(2,6-dimethylphenyl)-methyl-azanium

Systemtic Name: [1-(2-bromanyl-4-methyl-phenyl)-5-methyl-5-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-ylidene]-(2,6-dimethylphenyl)-methyl-azanium Openeye Name: [5-benzyl-1-(2-bromo-4-methyl-phenyl)-5-methyl-2-thioxo-imidazolidin-4-ylidene]-(2,6-dimethylphenyl)-methyl-ammonium CAS Name: [1-(2-bromo-4-methylphenyl)-5-methyl-5-(phenylmethyl)-2-sulfanylidene-4-imidazolidinylidene]-(2,6-dimethylphenyl)-methylammonium IUPAC Name: [5-benzyl-1-(2-bromo-4-methylphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-ylidene]-(2,6-dimethylphenyl)-methylazanium Traditional Name: [5-benzyl-1-(2-bromo-4-methyl-phenyl)-5-methyl-2-thioxo-imidazolidin-4-ylidene]-(2,6-dimethylphenyl)-methyl-ammonium Formula: C27H29BrN3S+ MolecularWeight: 507.50826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=S)NC(=[N+](C)C3=C(C=CC=C3C)C)C2(C)CC4=CC=CC=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=S)NC(=[N+](C)C3=C(C=CC=C3C)C)C2(C)CC4=CC=CC=C4)Br

InChI

InChI=1S/C27H28BrN3S/c1-18-14-15-23(22(28)16-18)31-26(32)29-25(27(31,4)17-21-12-7-6-8-13-21)30(5)24-19(2)10-9-11-20(24)3/h6-16H,17H2,1-5H3/p+1