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

Systemtic Name: [3-(4-fluorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [3-(4-fluorophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: [3-(4-fluorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [3-(4-fluorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [3-(4-fluorophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thenyl)ammonium Formula: C16H18FN4S2+ MolecularWeight: 349.469323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=CSC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=CSC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H17FN4S2/c1-19(9-12-7-8-23-10-12)11-21-16(22)20(2)15(18-21)13-3-5-14(17)6-4-13/h3-8,10H,9,11H2,1-2H3/p+1