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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)F)CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)F)CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4

InChI

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