8-fluoranyl-3-phenethylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 8-fluoranyl-3-phenethylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 8-fluoro-3-phenethylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 8-fluoro-3-(phenethylthio)-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 8-fluoro-3-phenethylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 8-fluoro-3-(phenethylthio)-5H-[1,2,4]triazin[5,6-b]indole Formula: C17H13FN4S MolecularWeight: 324.375323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC3=C(C4=C(N3)C=CC(=C4)F)N=N2

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC3=C(C4=C(N3)C=CC(=C4)F)N=N2

InChI

InChI=1S/C17H13FN4S/c18-12-6-7-14-13(10-12)15-16(19-14)20-17(22-21-15)23-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20,22)