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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methyleneamino]acetamide CAS Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[(5-phenyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]-N-[(E)-(2,3,4-trimethoxybenzylidene)amino]acetamide Formula: C28H29N5O5S MolecularWeight: 547.62536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=C(C(=C(C=C3)OC)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=C(C(=C(C=C3)OC)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C28H29N5O5S/c1-5-38-22-14-12-21(13-15-22)33-27(19-9-7-6-8-10-19)31-32-28(33)39-18-24(34)30-29-17-20-11-16-23(35-2)26(37-4)25(20)36-3/h6-17H,5,18H2,1-4H3,(H,30,34)/b29-17+