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

Systemtic Name: 4-(4-fluorophenyl)-5-(phenylmethyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-4-(4-fluorophenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-fluorophenyl)-5-(phenylmethyl)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-4-(4-fluorophenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-4-(4-fluorophenyl)-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:

C1CC[NH+](C1)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC[NH+](C1)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H21FN4S/c21-17-8-10-18(11-9-17)25-19(14-16-6-2-1-3-7-16)22-24(20(25)26)15-23-12-4-5-13-23/h1-3,6-11H,4-5,12-15H2/p+1