4-(3-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(3-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(3-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(3-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(3-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C14H19N4OS+ MolecularWeight: 291.39186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN(C2=S)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN(C2=S)C[NH+]3CCCC3

InChI

InChI=1S/C14H18N4OS/c1-19-13-6-4-5-12(9-13)17-10-15-18(14(17)20)11-16-7-2-3-8-16/h4-6,9-10H,2-3,7-8,11H2,1H3/p+1