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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl-methyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl-methyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (3-fluoro-4-methoxy-benzyl)-methyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C13H18FN4OS+ MolecularWeight: 297.371623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)C[NH+](C)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CN1C=NN(C1=S)C[NH+](C)CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C13H17FN4OS/c1-16(9-18-13(20)17(2)8-15-18)7-10-4-5-12(19-3)11(14)6-10/h4-6,8H,7,9H2,1-3H3/p+1