3-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-pyridazine-4-carboxamide

Systemtic Name: 3-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-pyridazine-4-carboxamide Openeye Name: 3-[2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-pyridazine-4-carboxamide CAS Name: 3-[[2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]thio]-5,6-dimethyl-4-pyridazinecarboxamide IUPAC Name: 3-[2-(1-adamantylcarbamoylamino)-2-oxoethyl]sulfanyl-5,6-dimethylpyridazine-4-carboxamide Traditional Name: 3-[[2-(1-adamantylcarbamoylamino)-2-keto-ethyl]thio]-5,6-dimethyl-pyridazine-4-carboxamide Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN=C1C)SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)N

Isomeric SMILES

CC1=C(C(=NN=C1C)SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)N

InChI

InChI=1S/C20H27N5O3S/c1-10-11(2)24-25-18(16(10)17(21)27)29-9-15(26)22-19(28)23-20-6-12-3-13(7-20)5-14(4-12)8-20/h12-14H,3-9H2,1-2H3,(H2,21,27)(H2,22,23,26,28)