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

Systemtic Name: 3-butylsulfanyl-5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-butylsulfanyl-5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(butylthio)-5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-butylsulfanyl-5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(butylthio)-5-ethyl-8-methyl-[1,2,4]triazin[5,6-b]indole Formula: C16H20N4S MolecularWeight: 300.4218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=C(N2CC)C=CC(=C3)C)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=C(N2CC)C=CC(=C3)C)N=N1

InChI

InChI=1S/C16H20N4S/c1-4-6-9-21-16-17-15-14(18-19-16)12-10-11(3)7-8-13(12)20(15)5-2/h7-8,10H,4-6,9H2,1-3H3