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

Systemtic Name: 4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-methoxyphenyl)-4-p-phenetyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C22H27N4O2S+ MolecularWeight: 411.54038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H26N4O2S/c1-3-28-20-12-8-18(9-13-20)26-21(17-6-10-19(27-2)11-7-17)23-25(22(26)29)16-24-14-4-5-15-24/h6-13H,3-5,14-16H2,1-2H3/p+1