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

Systemtic Name: 4-(4-ethoxyphenyl)-5-pyridin-4-yl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(4-ethoxyphenyl)-5-(4-pyridyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-ethoxyphenyl)-5-pyridin-4-yl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(4-ethoxyphenyl)-5-pyridin-4-yl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-p-phenetyl-5-(4-pyridyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C20H24N5OS+ MolecularWeight: 382.50246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5OS/c1-2-26-18-7-5-17(6-8-18)25-19(16-9-11-21-12-10-16)22-24(20(25)27)15-23-13-3-4-14-23/h5-12H,2-4,13-15H2,1H3/p+1