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

Systemtic Name: 8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole-3-thiolate Openeye Name: 8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole-3-thiolate CAS Name: 8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole-3-thiolate IUPAC Name: 8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indole-3-thiolate Traditional Name: 8-methyl-5-phenethyl-[1,2,4]triazin[5,6-b]indole-3-thiolate Formula: C18H15N4S- MolecularWeight: 319.4035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)[S-])CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)[S-])CCC4=CC=CC=C4

InChI

InChI=1S/C18H16N4S/c1-12-7-8-15-14(11-12)16-17(19-18(23)21-20-16)22(15)10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,21,23)/p-1