ethyl 4-oxidanylidene-3-phenyl-5-[2-(phenylmethylsulfanyl)ethanoylamino]thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-3-phenyl-5-[2-(phenylmethylsulfanyl)ethanoylamino]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(2-benzylsulfanylacetyl)amino]-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 4-oxo-5-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-benzylsulfanylacetyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[[2-(benzylthio)acetyl]amino]-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C24H21N3O4S2 MolecularWeight: 479.57124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CSCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CSCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O4S2/c1-2-31-24(30)21-18-14-33-22(25-19(28)15-32-13-16-9-5-3-6-10-16)20(18)23(29)27(26-21)17-11-7-4-8-12-17/h3-12,14H,2,13,15H2,1H3,(H,25,28)