6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-N-(2-phenylsulfanylethyl)pyridazine-3-carboxamide

Systemtic Name: 6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-N-(2-phenylsulfanylethyl)pyridazine-3-carboxamide Openeye Name: 6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2-phenylsulfanylethyl)pyridazine-3-carboxamide CAS Name: 6-methyl-1-(2-nitrophenyl)-4-oxo-N-[2-(phenylthio)ethyl]-3-pyridazinecarboxamide IUPAC Name: 6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2-phenylsulfanylethyl)pyridazine-3-carboxamide Traditional Name: 4-keto-6-methyl-1-(2-nitrophenyl)-N-[2-(phenylthio)ethyl]pyridazine-3-carboxamide Formula: C20H18N4O4S MolecularWeight: 410.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C20H18N4O4S/c1-14-13-18(25)19(20(26)21-11-12-29-15-7-3-2-4-8-15)22-23(14)16-9-5-6-10-17(16)24(27)28/h2-10,13H,11-12H2,1H3,(H,21,26)