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

Systemtic Name: (4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: [4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: (4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: (4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: [4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(3-fluorobenzyl)-methyl-ammonium Formula: C18H20FN4S2+ MolecularWeight: 375.506603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN4S2/c1-21(11-13-4-2-5-14(19)10-13)12-22-18(24)23(15-7-8-15)17(20-22)16-6-3-9-25-16/h2-6,9-10,15H,7-8,11-12H2,1H3/p+1