3-[(3-nitrophenyl)methylsulfanyl]-5,6-dihydrobenzo[h]cinnoline

Systemtic Name: 3-[(3-nitrophenyl)methylsulfanyl]-5,6-dihydrobenzo[h]cinnoline Openeye Name: 3-[(3-nitrophenyl)methylsulfanyl]-5,6-dihydrobenzo[h]cinnoline CAS Name: 3-[(3-nitrophenyl)methylthio]-5,6-dihydrobenzo[h]cinnoline IUPAC Name: 3-[(3-nitrophenyl)methylsulfanyl]-5,6-dihydrobenzo[h]cinnoline Traditional Name: 3-[(3-nitrobenzyl)thio]-5,6-dihydrobenzo[h]cinnoline Formula: C19H15N3O2S MolecularWeight: 349.4063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=NN=C2C3=CC=CC=C31)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2=CC(=NN=C2C3=CC=CC=C31)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O2S/c23-22(24)16-6-3-4-13(10-16)12-25-18-11-15-9-8-14-5-1-2-7-17(14)19(15)21-20-18/h1-7,10-11H,8-9,12H2