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

Systemtic Name: [4-cyclopropyl-3-(2-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-cyclopropyl-3-(2-fluorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: [4-cyclopropyl-3-(2-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-cyclopropyl-3-(2-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: benzyl-[[4-cyclopropyl-3-(2-fluorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C20H22FN4S+ MolecularWeight: 369.478883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN4S/c1-23(13-15-7-3-2-4-8-15)14-24-20(26)25(16-11-12-16)19(22-24)17-9-5-6-10-18(17)21/h2-10,16H,11-14H2,1H3/p+1