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

Systemtic Name: 5-butyl-8-methyl-3-phenethylsulfanyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-butyl-8-methyl-3-phenethylsulfanyl-[1,2,4]triazino[5,6-b]indole CAS Name: 5-butyl-8-methyl-3-(phenethylthio)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-butyl-8-methyl-3-phenethylsulfanyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-butyl-8-methyl-3-(phenethylthio)-[1,2,4]triazin[5,6-b]indole Formula: C22H24N4S MolecularWeight: 376.51776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)SCCC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)SCCC4=CC=CC=C4

InChI

InChI=1S/C22H24N4S/c1-3-4-13-26-19-11-10-16(2)15-18(19)20-21(26)23-22(25-24-20)27-14-12-17-8-6-5-7-9-17/h5-11,15H,3-4,12-14H2,1-2H3