3-(phenylmethylsulfanyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid

Systemtic Name: 3-(phenylmethylsulfanyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid Openeye Name: 3-benzylsulfanyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid CAS Name: 3-(phenylmethylthio)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid IUPAC Name: 3-benzylsulfanyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid Traditional Name: 3-(benzylthio)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid Formula: C15H15N3O2S MolecularWeight: 301.3635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC(=NN=C21)SCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CC2=CC(=NN=C21)SCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C15H15N3O2S/c19-15(20)18-7-6-13-12(9-18)8-14(17-16-13)21-10-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,19,20)