N-butyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanamide

Systemtic Name: N-butyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanamide Openeye Name: N-butyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide CAS Name: N-butyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)acetamide IUPAC Name: N-butyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide Traditional Name: N-butyl-2-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)acetamide Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(C3=CC=CC=C3N2)N=N1

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(C3=CC=CC=C3N2)N=N1

InChI

InChI=1S/C15H17N5OS/c1-2-3-8-16-12(21)9-22-15-18-14-13(19-20-15)10-6-4-5-7-11(10)17-14/h4-7H,2-3,8-9H2,1H3,(H,16,21)(H,17,18,20)