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

Systemtic Name: 3-butylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-butylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(butylthio)-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-butylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(butylthio)-5H-[1,2,4]triazin[5,6-b]indole Formula: C13H14N4S MolecularWeight: 258.34206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=CC=CC=C3N2)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=CC=CC=C3N2)N=N1

InChI

InChI=1S/C13H14N4S/c1-2-3-8-18-13-15-12-11(16-17-13)9-6-4-5-7-10(9)14-12/h4-7H,2-3,8H2,1H3,(H,14,15,17)