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

Systemtic Name: N-phenyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide Openeye Name: N-phenyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide CAS Name: N-phenyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)propanamide IUPAC Name: N-phenyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide Traditional Name: N-phenyl-2-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)propionamide Formula: C18H15N5OS MolecularWeight: 349.4096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NC3=C(C4=CC=CC=C4N3)N=N2

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=NC3=C(C4=CC=CC=C4N3)N=N2

InChI

InChI=1S/C18H15N5OS/c1-11(17(24)19-12-7-3-2-4-8-12)25-18-21-16-15(22-23-18)13-9-5-6-10-14(13)20-16/h2-11H,1H3,(H,19,24)(H,20,21,23)