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

Systemtic Name: (3-fluorophenyl)methyl-methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: (3-fluorophenyl)methyl-methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (3-fluorophenyl)methyl-methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-allyl-3-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)C3=CC=CC=C3)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN4S/c1-3-12-24-19(17-9-5-4-6-10-17)22-25(20(24)26)15-23(2)14-16-8-7-11-18(21)13-16/h3-11,13H,1,12,14-15H2,2H3/p+1