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

Systemtic Name: 2-[[5,6-bis(4-ethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5,6-bis(4-ethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5,6-bis(4-ethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5,6-bis(4-ethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5,6-bis(p-phenetyl)-1,2,4-triazin-3-yl]thio]-N-phenethyl-acetamide Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O3S/c1-3-35-24-14-10-22(11-15-24)27-28(23-12-16-25(17-13-23)36-4-2)32-33-29(31-27)37-20-26(34)30-19-18-21-8-6-5-7-9-21/h5-17H,3-4,18-20H2,1-2H3,(H,30,34)