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

Systemtic Name: (2R)-N-(3-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide Openeye Name: (2R)-N-(3-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide CAS Name: (2R)-N-(3-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)propanamide IUPAC Name: (2R)-N-(3-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide Traditional Name: (2R)-N-(3-nitrophenyl)-2-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)propionamide Formula: C18H14N6O3S MolecularWeight: 394.40716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=C(C4=CC=CC=C4N3)N=N2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=C(C4=CC=CC=C4N3)N=N2

InChI

InChI=1S/C18H14N6O3S/c1-10(17(25)19-11-5-4-6-12(9-11)24(26)27)28-18-21-16-15(22-23-18)13-7-2-3-8-14(13)20-16/h2-10H,1H3,(H,19,25)(H,20,21,23)/t10-/m1/s1