1-[4-ethoxy-3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[(5-ethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]methyl]phenyl]ethanone Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=C(C=CC(=C4)C(=O)C)OCC

Isomeric SMILES

CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=C(C=CC(=C4)C(=O)C)OCC

InChI

InChI=1S/C22H22N4O2S/c1-4-26-18-9-7-6-8-17(18)20-21(26)23-22(25-24-20)29-13-16-12-15(14(3)27)10-11-19(16)28-5-2/h6-12H,4-5,13H2,1-3H3