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

Systemtic Name: 3-butylsulfanyl-8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-butylsulfanyl-8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(butylthio)-8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-butylsulfanyl-8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(butylthio)-8-methyl-5-phenethyl-[1,2,4]triazin[5,6-b]indole Formula: C22H24N4S MolecularWeight: 376.51776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=C(N2CCC4=CC=CC=C4)C=CC(=C3)C)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=C(N2CCC4=CC=CC=C4)C=CC(=C3)C)N=N1

InChI

InChI=1S/C22H24N4S/c1-3-4-14-27-22-23-21-20(24-25-22)18-15-16(2)10-11-19(18)26(21)13-12-17-8-6-5-7-9-17/h5-11,15H,3-4,12-14H2,1-2H3