3-[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-pyridazine-4-carboxamide

Systemtic Name: 3-[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-pyridazine-4-carboxamide Openeye Name: 3-[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxo-ethyl]sulfanyl-5,6-dimethyl-pyridazine-4-carboxamide CAS Name: 3-[[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxoethyl]thio]-5,6-dimethyl-4-pyridazinecarboxamide IUPAC Name: 3-[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-5,6-dimethylpyridazine-4-carboxamide Traditional Name: 3-[[2-[1-adamantyl(m-anisyl)amino]-2-keto-ethyl]thio]-5,6-dimethyl-pyridazine-4-carboxamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN=C1C)SCC(=O)N(CC2=CC(=CC=C2)OC)C34CC5CC(C3)CC(C5)C4)C(=O)N

Isomeric SMILES

CC1=C(C(=NN=C1C)SCC(=O)N(CC2=CC(=CC=C2)OC)C34CC5CC(C3)CC(C5)C4)C(=O)N

InChI

InChI=1S/C27H34N4O3S/c1-16-17(2)29-30-26(24(16)25(28)33)35-15-23(32)31(14-18-5-4-6-22(10-18)34-3)27-11-19-7-20(12-27)9-21(8-19)13-27/h4-6,10,19-21H,7-9,11-15H2,1-3H3,(H2,28,33)