3-nonylsulfanyl-9H-[1,2,4]triazino[6,5-b]indole

Systemtic Name: 3-nonylsulfanyl-9H-[1,2,4]triazino[6,5-b]indole Openeye Name: 3-nonylsulfanyl-9H-[1,2,4]triazino[6,5-b]indole CAS Name: 3-(nonylthio)-9H-[1,2,4]triazino[6,5-b]indole IUPAC Name: 3-nonylsulfanyl-9H-[1,2,4]triazino[6,5-b]indole Traditional Name: 3-(nonylthio)-9H-[1,2,4]triazin[6,5-b]indole Formula: C18H24N4S MolecularWeight: 328.47496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(NC3=CC=CC=C32)N=N1

Isomeric SMILES

CCCCCCCCCSC1=NC2=C(NC3=CC=CC=C32)N=N1

InChI

InChI=1S/C18H24N4S/c1-2-3-4-5-6-7-10-13-23-18-20-16-14-11-8-9-12-15(14)19-17(16)21-22-18/h8-9,11-12H,2-7,10,13H2,1H3,(H,19,21)