2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2,4,5-trimethoxyphenyl)methylideneamino]ethanamide

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2,4,5-trimethoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2,4,5-trimethoxyphenyl)methyleneamino]acetamide CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[(2,4,5-trimethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2,4,5-trimethoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[[4-p-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(2,4,5-trimethoxybenzylidene)amino]acetamide Formula: C27H28N6O5S MolecularWeight: 548.61342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC(=C(C=C3OC)OC)OC)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC(=C(C=C3OC)OC)OC)C4=CN=CC=C4

InChI

InChI=1S/C27H28N6O5S/c1-5-38-21-10-8-20(9-11-21)33-26(18-7-6-12-28-15-18)31-32-27(33)39-17-25(34)30-29-16-19-13-23(36-3)24(37-4)14-22(19)35-2/h6-16H,5,17H2,1-4H3,(H,30,34)