N-cyclopentyl-2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanyl-ethanamide

Systemtic Name: N-cyclopentyl-2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanyl-ethanamide Openeye Name: N-cyclopentyl-2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanyl-acetamide CAS Name: N-cyclopentyl-2-(3-phenanthro[9,10-e][1,2,4]triazinylthio)acetamide IUPAC Name: N-cyclopentyl-2-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanylacetamide Traditional Name: N-cyclopentyl-2-(phenanthro[9,10-e][1,2,4]triazin-3-ylthio)acetamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4C5=CC=CC=C53)N=N2

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4C5=CC=CC=C53)N=N2

InChI

InChI=1S/C22H20N4OS/c27-19(23-14-7-1-2-8-14)13-28-22-24-20-17-11-5-3-9-15(17)16-10-4-6-12-18(16)21(20)25-26-22/h3-6,9-12,14H,1-2,7-8,13H2,(H,23,27)