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

Systemtic Name: 5-methyl-4-(phenylmethyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(phenylmethyl)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-methyl-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=NN(C(=S)N1CC2=CC=CC=C2)C[NH+]3CCCC3

Isomeric SMILES

CC1=NN(C(=S)N1CC2=CC=CC=C2)C[NH+]3CCCC3

InChI

InChI=1S/C15H20N4S/c1-13-16-19(12-17-9-5-6-10-17)15(20)18(13)11-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12H2,1H3/p+1