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

Systemtic Name: 5-butyl-8-methyl-3-propylsulfanyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-butyl-8-methyl-3-propylsulfanyl-[1,2,4]triazino[5,6-b]indole CAS Name: 5-butyl-8-methyl-3-(propylthio)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-butyl-8-methyl-3-propylsulfanyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-butyl-8-methyl-3-(propylthio)-[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)SCCC

Isomeric SMILES

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

InChI

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