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

Systemtic Name: (4-bromophenyl)methyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (4-bromophenyl)methyl-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (4-bromophenyl)methyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (4-bromobenzyl)-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C18H20BrN4S2+ MolecularWeight: 436.4122

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

InChI

InChI=1S/C18H19BrN4S2/c1-21(11-13-4-6-14(19)7-5-13)12-22-18(24)23(15-8-9-15)17(20-22)16-3-2-10-25-16/h2-7,10,15H,8-9,11-12H2,1H3/p+1