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

Systemtic Name: 3-ethylsulfanyl-8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-ethylsulfanyl-8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(ethylthio)-8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-ethylsulfanyl-8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(ethylthio)-8-methyl-5-phenethyl-[1,2,4]triazin[5,6-b]indole Formula: C20H20N4S MolecularWeight: 348.4646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C3=C(N2CCC4=CC=CC=C4)C=CC(=C3)C)N=N1

Isomeric SMILES

CCSC1=NC2=C(C3=C(N2CCC4=CC=CC=C4)C=CC(=C3)C)N=N1

InChI

InChI=1S/C20H20N4S/c1-3-25-20-21-19-18(22-23-20)16-13-14(2)9-10-17(16)24(19)12-11-15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3