(2-chloranyl-6-fluoranyl-phenyl)methyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methyl-azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C18H19ClFN4S2+ MolecularWeight: 409.951663

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC=C1Cl)F)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

Isomeric SMILES

C[NH+](CC1=C(C=CC=C1Cl)F)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

InChI

InChI=1S/C18H18ClFN4S2/c1-22(10-13-14(19)4-2-5-15(13)20)11-23-18(25)24(12-7-8-12)17(21-23)16-6-3-9-26-16/h2-6,9,12H,7-8,10-11H2,1H3/p+1