4-[2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-p-phenetyl-5-(3-pyridyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]acetyl]amino]benzoate Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N+]2=C(NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)[N+]2=C(NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C24H21N5O4S/c1-2-33-20-11-9-19(10-12-20)29-22(17-4-3-13-25-14-17)27-28-24(29)34-15-21(30)26-18-7-5-16(6-8-18)23(31)32/h3-14H,2,15H2,1H3,(H2,26,30,31,32)