[5-(2-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: [5-(2-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[5-(2-bromophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-ethyl-ammonium CAS Name: [5-(2-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-(2-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-ethylazanium Traditional Name: benzyl-[[5-(2-bromophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-ethyl-ammonium Formula: C18H20BrN4S+ MolecularWeight: 404.3472

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N=C(N2)C3=CC=CC=C3Br

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N=C(N2)C3=CC=CC=C3Br

InChI

InChI=1S/C18H19BrN4S/c1-2-22(12-14-8-4-3-5-9-14)13-23-18(24)20-17(21-23)15-10-6-7-11-16(15)19/h3-11H,2,12-13H2,1H3,(H,20,21,24)/p+1