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

Systemtic Name: [4-cyclopropyl-3-(2-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-cyclopropyl-3-(2-fluorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-ethyl-ammonium CAS Name: [4-cyclopropyl-3-(2-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-cyclopropyl-3-(2-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-ethylazanium Traditional Name: benzyl-[[4-cyclopropyl-3-(2-fluorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-ethyl-ammonium Formula: C21H24FN4S+ MolecularWeight: 383.505463

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C4CC4

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C4CC4

InChI

InChI=1S/C21H23FN4S/c1-2-24(14-16-8-4-3-5-9-16)15-25-21(27)26(17-12-13-17)20(23-25)18-10-6-7-11-19(18)22/h3-11,17H,2,12-15H2,1H3/p+1