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

Systemtic Name: [3-(3-bromophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(3-bromophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-ethyl-ammonium CAS Name: [3-(3-bromophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(3-bromophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-ethylazanium Traditional Name: benzyl-[[3-(3-bromophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-ethyl-ammonium Formula: C19H22BrN4S+ MolecularWeight: 418.37378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN4S/c1-3-23(13-15-8-5-4-6-9-15)14-24-19(25)22(2)18(21-24)16-10-7-11-17(20)12-16/h4-12H,3,13-14H2,1-2H3/p+1