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

Systemtic Name: 3-heptylsulfanyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-heptylsulfanyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(heptylthio)-8-methyl-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-heptylsulfanyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(heptylthio)-8-methyl-5H-[1,2,4]triazin[5,6-b]indole Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(C3=C(N2)C=CC(=C3)C)N=N1

Isomeric SMILES

CCCCCCCSC1=NC2=C(C3=C(N2)C=CC(=C3)C)N=N1

InChI

InChI=1S/C17H22N4S/c1-3-4-5-6-7-10-22-17-19-16-15(20-21-17)13-11-12(2)8-9-14(13)18-16/h8-9,11H,3-7,10H2,1-2H3,(H,18,19,21)