4-[2-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]ethyl]morpholine

Systemtic Name: 4-[2-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]ethyl]morpholine Openeye Name: 4-[2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine CAS Name: 4-[2-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]thio]ethyl]morpholine IUPAC Name: 4-[2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine Traditional Name: 4-[2-[(5-benzyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]ethyl]morpholine Formula: C22H23N5OS MolecularWeight: 405.51592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)N=N2

Isomeric SMILES

C1COCCN1CCSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)N=N2

InChI

InChI=1S/C22H23N5OS/c1-2-6-17(7-3-1)16-27-19-9-5-4-8-18(19)20-21(27)23-22(25-24-20)29-15-12-26-10-13-28-14-11-26/h1-9H,10-16H2