3-phenethylsulfanyl-5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 3-phenethylsulfanyl-5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-benzyl-3-phenethylsulfanyl-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(phenethylthio)-5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-benzyl-3-phenethylsulfanyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-benzyl-3-(phenethylthio)-[1,2,4]triazin[5,6-b]indole Formula: C24H20N4S MolecularWeight: 396.5074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)N=N2

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)N=N2

InChI

InChI=1S/C24H20N4S/c1-3-9-18(10-4-1)15-16-29-24-25-23-22(26-27-24)20-13-7-8-14-21(20)28(23)17-19-11-5-2-6-12-19/h1-14H,15-17H2