3-(diethylamino)-5-(1,3-dimethyl-5-methylsulfanyl-pyrazol-4-yl)-2-propanoyl-cyclohex-2-en-1-one

Systemtic Name: 3-(diethylamino)-5-(1,3-dimethyl-5-methylsulfanyl-pyrazol-4-yl)-2-propanoyl-cyclohex-2-en-1-one Openeye Name: 3-(diethylamino)-5-(1,3-dimethyl-5-methylsulfanyl-pyrazol-4-yl)-2-propanoyl-cyclohex-2-en-1-one CAS Name: 3-(diethylamino)-5-[1,3-dimethyl-5-(methylthio)-4-pyrazolyl]-2-(1-oxopropyl)-1-cyclohex-2-enone IUPAC Name: 3-(diethylamino)-5-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)-2-propanoylcyclohex-2-en-1-one Traditional Name: 3-(diethylamino)-5-[1,3-dimethyl-5-(methylthio)pyrazol-4-yl]-2-propionyl-cyclohex-2-en-1-one Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(CC(CC1=O)C2=C(N(N=C2C)C)SC)N(CC)CC

Isomeric SMILES

CCC(=O)C1=C(CC(CC1=O)C2=C(N(N=C2C)C)SC)N(CC)CC

InChI

InChI=1S/C19H29N3O2S/c1-7-15(23)18-14(22(8-2)9-3)10-13(11-16(18)24)17-12(4)20-21(5)19(17)25-6/h13H,7-11H2,1-6H3