2-cyclopentylsulfanyl-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione

Systemtic Name: 2-cyclopentylsulfanyl-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione Openeye Name: 3-benzyl-2-cyclopentylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione CAS Name: 2-(cyclopentylthio)-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione IUPAC Name: 3-benzyl-2-cyclopentylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione Traditional Name: 3-benzyl-2-(cyclopentylthio)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-quinone Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NNC3=O

Isomeric SMILES

C1CCC(C1)SC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NNC3=O

InChI

InChI=1S/C17H18N4O2S/c22-15-13-14(16(23)20-19-15)21(10-11-6-2-1-3-7-11)17(18-13)24-12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2,(H,19,22)(H,20,23)