4-cinnolin-4-ylsulfanyl-6,7-dimethoxy-cinnoline

Systemtic Name: 4-cinnolin-4-ylsulfanyl-6,7-dimethoxy-cinnoline Openeye Name: 4-cinnolin-4-ylsulfanyl-6,7-dimethoxy-cinnoline CAS Name: 4-(4-cinnolinylthio)-6,7-dimethoxycinnoline IUPAC Name: 4-cinnolin-4-ylsulfanyl-6,7-dimethoxycinnoline Traditional Name: 4-(cinnolin-4-ylthio)-6,7-dimethoxy-cinnoline Formula: C18H14N4O2S MolecularWeight: 350.39436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=N2)SC3=CN=NC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=N2)SC3=CN=NC4=CC=CC=C43)OC

InChI

InChI=1S/C18H14N4O2S/c1-23-15-7-12-14(8-16(15)24-2)22-20-10-18(12)25-17-9-19-21-13-6-4-3-5-11(13)17/h3-10H,1-2H3