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

Systemtic Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C17H25N4OS+ MolecularWeight: 333.4716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=NN(C(=S)N2C)C[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=NN(C(=S)N2C)C[NH+]3CCCC3)C

InChI

InChI=1S/C17H24N4OS/c1-13-6-7-15(10-14(13)2)22-11-16-18-21(17(23)19(16)3)12-20-8-4-5-9-20/h6-7,10H,4-5,8-9,11-12H2,1-3H3/p+1