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

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-ethyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-ethyl-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-ethyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-ethyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-ethyl-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C17H20BrN4S2+ MolecularWeight: 424.4015

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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=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN4S2/c1-3-21(11-14-9-10-15(18)24-14)12-22-17(23)20(2)16(19-22)13-7-5-4-6-8-13/h4-10H,3,11-12H2,1-2H3/p+1