methyl-(phenylmethyl)-[(2-sulfanylidene-4,5-dithiophen-2-yl-1H-imidazol-3-yl)methyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[(2-sulfanylidene-4,5-dithiophen-2-yl-1H-imidazol-3-yl)methyl]azanium Openeye Name: benzyl-[[4,5-bis(2-thienyl)-2-thioxo-1H-imidazol-3-yl]methyl]-methyl-ammonium CAS Name: methyl-(phenylmethyl)-[(2-sulfanylidene-4,5-dithiophen-2-yl-1H-imidazol-3-yl)methyl]ammonium IUPAC Name: benzyl-methyl-[(2-sulfanylidene-4,5-dithiophen-2-yl-1H-imidazol-3-yl)methyl]azanium Traditional Name: benzyl-[[4,5-bis(2-thienyl)-2-thioxo-4-imidazolin-1-yl]methyl]-methyl-ammonium Formula: C20H20N3S3+ MolecularWeight: 398.5879

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CN2C(=C(NC2=S)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CN2C(=C(NC2=S)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C20H19N3S3/c1-22(13-15-7-3-2-4-8-15)14-23-19(17-10-6-12-26-17)18(21-20(23)24)16-9-5-11-25-16/h2-12H,13-14H2,1H3,(H,21,24)/p+1