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

Systemtic Name: 5-(4-methoxyphenyl)-4-propan-2-yl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-isopropyl-5-(4-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-4-propan-2-yl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-4-propan-2-yl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-isopropyl-5-(4-methoxyphenyl)-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:

CC(C)N1C(=NN(C1=S)C[NH+]2CCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN(C1=S)C[NH+]2CCCC2)C3=CC=C(C=C3)OC

InChI

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