5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-2-ylsulfanyl-thieno[2,3-d]pyridazin-4-one

Systemtic Name: 5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-2-ylsulfanyl-thieno[2,3-d]pyridazin-4-one Openeye Name: 7-isobutyl-5-methyl-2-(1-naphthylmethyl)-3-(2-pyridylsulfanyl)thieno[2,3-d]pyridazin-4-one CAS Name: 5-methyl-7-(2-methylpropyl)-2-(1-naphthalenylmethyl)-3-(2-pyridinylthio)-4-thieno[2,3-d]pyridazinone IUPAC Name: 5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-2-ylsulfanylthieno[2,3-d]pyridazin-4-one Traditional Name: 7-isobutyl-5-methyl-2-(1-naphthylmethyl)-3-(2-pyridylthio)thieno[2,3-d]pyridazin-4-one Formula: C27H25N3OS2 MolecularWeight: 471.6369

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=O)C2=C1SC(=C2SC3=CC=CC=N3)CC4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CC(C)CC1=NN(C(=O)C2=C1SC(=C2SC3=CC=CC=N3)CC4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C27H25N3OS2/c1-17(2)15-21-25-24(27(31)30(3)29-21)26(33-23-13-6-7-14-28-23)22(32-25)16-19-11-8-10-18-9-4-5-12-20(18)19/h4-14,17H,15-16H2,1-3H3