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

Systemtic Name: 3-pentylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-pentylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(pentylthio)-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-pentylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(amylthio)-5H-[1,2,4]triazin[5,6-b]indole Formula: C14H16N4S MolecularWeight: 272.36864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C3=CC=CC=C3N2)N=N1

Isomeric SMILES

CCCCCSC1=NC2=C(C3=CC=CC=C3N2)N=N1

InChI

InChI=1S/C14H16N4S/c1-2-3-6-9-19-14-16-13-12(17-18-14)10-7-4-5-8-11(10)15-13/h4-5,7-8H,2-3,6,9H2,1H3,(H,15,16,18)