5-[(2-chloranylphenoxy)methyl]-4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-[(2-chloranylphenoxy)methyl]-4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-[(2-chlorophenoxy)methyl]-4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-[(2-chlorophenoxy)methyl]-4-phenyl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-[(2-chlorophenoxy)methyl]-4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-[(2-chlorophenoxy)methyl]-4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C20H22ClN4OS+ MolecularWeight: 401.93288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H21ClN4OS/c21-17-10-4-5-11-18(17)26-14-19-22-24(15-23-12-6-7-13-23)20(27)25(19)16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2/p+1