N-(2,5-dimethoxyphenyl)-2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanyl-ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanyl-acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-(3-phenanthro[9,10-e][1,2,4]triazinylthio)acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanylacetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-(phenanthro[9,10-e][1,2,4]triazin-3-ylthio)acetamide Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(C4=CC=CC=C4C5=CC=CC=C53)N=N2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(C4=CC=CC=C4C5=CC=CC=C53)N=N2

InChI

InChI=1S/C25H20N4O3S/c1-31-15-11-12-21(32-2)20(13-15)26-22(30)14-33-25-27-23-18-9-5-3-7-16(18)17-8-4-6-10-19(17)24(23)28-29-25/h3-13H,14H2,1-2H3,(H,26,30)