5-(2-fluorophenyl)-4-(4-methylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-fluorophenyl)-4-(4-methylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(2-fluorophenyl)-4-(p-tolyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(2-fluorophenyl)-4-(4-methylphenyl)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(2-fluorophenyl)-4-(4-methylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(2-fluorophenyl)-4-(p-tolyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C20H22FN4S+ MolecularWeight: 369.478883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCCC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCCC3)C4=CC=CC=C4F

InChI

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