5-(3-methoxyphenyl)-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(3-methoxyphenyl)-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(3-methoxyphenyl)-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(3-methoxyphenyl)-4-methyl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(3-methoxyphenyl)-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(3-methoxyphenyl)-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C15H21N4OS+ MolecularWeight: 305.41844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCCC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C15H20N4OS/c1-17-14(12-6-5-7-13(10-12)20-2)16-19(15(17)21)11-18-8-3-4-9-18/h5-7,10H,3-4,8-9,11H2,1-2H3/p+1