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

Systemtic Name: 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-cyclohexyl-acetamide Formula: C27H32N4O5S MolecularWeight: 524.63178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3CCCCC3)C4=CC(=C(C=C4)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3CCCCC3)C4=CC(=C(C=C4)OC)OC)OC

InChI

InChI=1S/C27H32N4O5S/c1-33-20-12-10-17(14-22(20)35-3)25-26(18-11-13-21(34-2)23(15-18)36-4)30-31-27(29-25)37-16-24(32)28-19-8-6-5-7-9-19/h10-15,19H,5-9,16H2,1-4H3,(H,28,32)