5-(4-fluorophenyl)-4-prop-2-enyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-fluorophenyl)-4-prop-2-enyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(4-fluorophenyl)-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-fluorophenyl)-4-prop-2-enyl-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-fluorophenyl)-4-prop-2-enyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(4-fluorophenyl)-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C20H22FN4S2+ MolecularWeight: 401.543883

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCCC2C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCC[C@@H]2C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H21FN4S2/c1-2-11-24-19(15-7-9-16(21)10-8-15)22-25(20(24)26)14-23-12-3-5-17(23)18-6-4-13-27-18/h2,4,6-10,13,17H,1,3,5,11-12,14H2/p+1/t17-/m1/s1