2-[[5,6-bis(4-ethoxy-3-methoxy-phenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5,6-bis(4-ethoxy-3-methoxy-phenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5,6-bis(4-ethoxy-3-methoxy-phenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5,6-bis(4-ethoxy-3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5,6-bis(4-ethoxy-3-methoxy-phenyl)-1,2,4-triazin-3-yl]thio]-N-phenethyl-acetamide Formula: C31H34N4O5S MolecularWeight: 574.69046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)C4=CC(=C(C=C4)OCC)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)C4=CC(=C(C=C4)OCC)OC)OC

InChI

InChI=1S/C31H34N4O5S/c1-5-39-24-14-12-22(18-26(24)37-3)29-30(23-13-15-25(40-6-2)27(19-23)38-4)34-35-31(33-29)41-20-28(36)32-17-16-21-10-8-7-9-11-21/h7-15,18-19H,5-6,16-17,20H2,1-4H3,(H,32,36)