3-hexylsulfanyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 3-hexylsulfanyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-hexylsulfanyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(hexylthio)-8-methyl-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-hexylsulfanyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(hexylthio)-8-methyl-5H-[1,2,4]triazin[5,6-b]indole Formula: C16H20N4S MolecularWeight: 300.4218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C3=C(N2)C=CC(=C3)C)N=N1

Isomeric SMILES

CCCCCCSC1=NC2=C(C3=C(N2)C=CC(=C3)C)N=N1

InChI

InChI=1S/C16H20N4S/c1-3-4-5-6-9-21-16-18-15-14(19-20-16)12-10-11(2)7-8-13(12)17-15/h7-8,10H,3-6,9H2,1-2H3,(H,17,18,20)