tert-butyl 4-[5-methyl-2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)-3-oxidanylidene-pyridazin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-methyl-2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)-3-oxidanylidene-pyridazin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-isobutyl-5-methyl-6-(4-methylsulfanylphenyl)-3-oxo-pyridazin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-methyl-2-(2-methylpropyl)-6-[4-(methylthio)phenyl]-3-oxo-4-pyridazinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-methyl-2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)-3-oxopyridazin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-isobutyl-3-keto-5-methyl-6-[4-(methylthio)phenyl]pyridazin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H36N4O3S MolecularWeight: 472.64334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C2=CC=C(C=C2)SC)CC(C)C)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=O)N(N=C1C2=CC=C(C=C2)SC)CC(C)C)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H36N4O3S/c1-17(2)16-29-23(30)22(18(3)21(26-29)19-8-10-20(33-7)11-9-19)27-12-14-28(15-13-27)24(31)32-25(4,5)6/h8-11,17H,12-16H2,1-7H3