2-[[4,7-bis(oxidanylidene)-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4,7-bis(oxidanylidene)-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide CAS Name: 2-[[4,7-dioxo-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-4,7-dioxo-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(3-benzyl-4,7-diketo-5,6-dihydroimidazo[4,5-d]pyridazin-2-yl)thio]acetamide Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)NNC3=O)N=C2SCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)NNC3=O)N=C2SCC(=O)N

InChI

InChI=1S/C14H13N5O3S/c15-9(20)7-23-14-16-10-11(13(22)18-17-12(10)21)19(14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,15,20)(H,17,21)(H,18,22)