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

Systemtic Name: N-[(1R)-1-phenylethyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanamide Openeye Name: N-[(1R)-1-phenylethyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide CAS Name: N-[(1R)-1-phenylethyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)acetamide IUPAC Name: N-[(1R)-1-phenylethyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide Traditional Name: N-[(1R)-1-phenylethyl]-2-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)acetamide Formula: C19H17N5OS MolecularWeight: 363.43618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2

InChI

InChI=1S/C19H17N5OS/c1-12(13-7-3-2-4-8-13)20-16(25)11-26-19-22-18-17(23-24-19)14-9-5-6-10-15(14)21-18/h2-10,12H,11H2,1H3,(H,20,25)(H,21,22,24)/t12-/m1/s1