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

Systemtic Name: 5-(4-methoxyphenyl)-4-phenethyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-methoxyphenyl)-4-phenethyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-4-phenethyl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-4-phenethyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-methoxyphenyl)-4-phenethyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)N2CCC3=CC=CC=C3)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)N2CCC3=CC=CC=C3)C[NH+]4CCCC4

InChI

InChI=1S/C22H26N4OS/c1-27-20-11-9-19(10-12-20)21-23-26(17-24-14-5-6-15-24)22(28)25(21)16-13-18-7-3-2-4-8-18/h2-4,7-12H,5-6,13-17H2,1H3/p+1