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

Systemtic Name: 5-[(2-methylphenoxy)methyl]-4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-[(2-methylphenoxy)methyl]-4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-[(2-methylphenoxy)methyl]-4-phenyl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-[(2-methylphenoxy)methyl]-4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-[(2-methylphenoxy)methyl]-4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCC4

InChI

InChI=1S/C21H24N4OS/c1-17-9-5-6-12-19(17)26-15-20-22-24(16-23-13-7-8-14-23)21(27)25(20)18-10-3-2-4-11-18/h2-6,9-12H,7-8,13-16H2,1H3/p+1