5-butyl-8-methyl-3-propan-2-ylsulfanyl-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 5-butyl-8-methyl-3-propan-2-ylsulfanyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-butyl-3-isopropylsulfanyl-8-methyl-[1,2,4]triazino[5,6-b]indole CAS Name: 5-butyl-8-methyl-3-(propan-2-ylthio)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-butyl-8-methyl-3-propan-2-ylsulfanyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-butyl-3-(isopropylthio)-8-methyl-[1,2,4]triazin[5,6-b]indole Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)SC(C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)SC(C)C

InChI

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