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

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-ethyl-[[3-(2-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-ethyl-[[3-(2-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-ethyl-[[3-(2-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-ethyl-[[3-(2-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-ethyl-[[3-(2-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C18H22BrN4OS2+ MolecularWeight: 454.42748

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(S1)Br)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)C

Isomeric SMILES

CC[NH+](CC1=CC=C(S1)Br)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)C

InChI

InChI=1S/C18H21BrN4OS2/c1-4-22(11-13-9-10-16(19)26-13)12-23-18(25)21(2)17(20-23)14-7-5-6-8-15(14)24-3/h5-10H,4,11-12H2,1-3H3/p+1