8-methyl-5-phenethyl-3-phenethylsulfanyl-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 8-methyl-5-phenethyl-3-phenethylsulfanyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 8-methyl-5-phenethyl-3-phenethylsulfanyl-[1,2,4]triazino[5,6-b]indole CAS Name: 8-methyl-5-phenethyl-3-(phenethylthio)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 8-methyl-5-phenethyl-3-phenethylsulfanyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 8-methyl-5-phenethyl-3-(phenethylthio)-[1,2,4]triazin[5,6-b]indole Formula: C26H24N4S MolecularWeight: 424.56056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCCC4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCCC4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C26H24N4S/c1-19-12-13-23-22(18-19)24-25(30(23)16-14-20-8-4-2-5-9-20)27-26(29-28-24)31-17-15-21-10-6-3-7-11-21/h2-13,18H,14-17H2,1H3