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

Systemtic Name: 4-(2,5-dimethylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(2,5-dimethylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(2,5-dimethylphenyl)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(2,5-dimethylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(2,5-dimethylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C15H21N4S+ MolecularWeight: 289.41904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=NN(C2=S)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=NN(C2=S)C[NH+]3CCCC3

InChI

InChI=1S/C15H20N4S/c1-12-5-6-13(2)14(9-12)18-10-16-19(15(18)20)11-17-7-3-4-8-17/h5-6,9-10H,3-4,7-8,11H2,1-2H3/p+1