3-butylsulfanyl-8-methyl-5-propyl-[1,2,4]triazino[5,6-b]indole

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=C(N2CCC)C=CC(=C3)C)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=C(N2CCC)C=CC(=C3)C)N=N1

InChI

InChI=1S/C17H22N4S/c1-4-6-10-22-17-18-16-15(19-20-17)13-11-12(3)7-8-14(13)21(16)9-5-2/h7-8,11H,4-6,9-10H2,1-3H3