3-(benzotriazol-1-ylmethylsulfanyl)-5-butyl-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 3-(benzotriazol-1-ylmethylsulfanyl)-5-butyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-(benzotriazol-1-ylmethylsulfanyl)-5-butyl-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(1-benzotriazolylmethylthio)-5-butyl-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-(benzotriazol-1-ylmethylsulfanyl)-5-butyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(benzotriazol-1-ylmethylthio)-5-butyl-[1,2,4]triazin[5,6-b]indole Formula: C20H19N7S MolecularWeight: 389.47676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCN4C5=CC=CC=C5N=N4

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H19N7S/c1-2-3-12-26-16-10-6-4-8-14(16)18-19(26)21-20(24-23-18)28-13-27-17-11-7-5-9-15(17)22-25-27/h4-11H,2-3,12-13H2,1H3