ethyl 4-[4-(6-acetamidopyridazin-3-yl)sulfanylbutanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(6-acetamidopyridazin-3-yl)sulfanylbutanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(6-acetamidopyridazin-3-yl)sulfanylbutanoyl]piperazine-1-carboxylate CAS Name: 4-[4-[(6-acetamido-3-pyridazinyl)thio]-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(6-acetamidopyridazin-3-yl)sulfanylbutanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(6-acetamidopyridazin-3-yl)thio]butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H25N5O4S MolecularWeight: 395.4765

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCCSC2=NN=C(C=C2)NC(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCCSC2=NN=C(C=C2)NC(=O)C

InChI

InChI=1S/C17H25N5O4S/c1-3-26-17(25)22-10-8-21(9-11-22)16(24)5-4-12-27-15-7-6-14(19-20-15)18-13(2)23/h6-7H,3-5,8-12H2,1-2H3,(H,18,19,23)