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

Systemtic Name: N-phenethyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide Openeye Name: N-phenethyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide CAS Name: N-phenethyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)propanamide IUPAC Name: N-phenethyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide Traditional Name: N-phenethyl-2-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)propionamide Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NC3=C(C4=CC=CC=C4N3)N=N2

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SC2=NC3=C(C4=CC=CC=C4N3)N=N2

InChI

InChI=1S/C20H19N5OS/c1-13(19(26)21-12-11-14-7-3-2-4-8-14)27-20-23-18-17(24-25-20)15-9-5-6-10-16(15)22-18/h2-10,13H,11-12H2,1H3,(H,21,26)(H,22,23,25)