2-butanoyl-3-pyrazol-1-yl-5-(thian-3-yl)cyclohex-2-en-1-one

Systemtic Name: 2-butanoyl-3-pyrazol-1-yl-5-(thian-3-yl)cyclohex-2-en-1-one Openeye Name: 2-butanoyl-3-pyrazol-1-yl-5-tetrahydrothiopyran-3-yl-cyclohex-2-en-1-one CAS Name: 2-(1-oxobutyl)-3-(1-pyrazolyl)-5-(3-thianyl)-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-3-pyrazol-1-yl-5-(thian-3-yl)cyclohex-2-en-1-one Traditional Name: 2-butyryl-3-pyrazol-1-yl-5-tetrahydrothiopyran-3-yl-cyclohex-2-en-1-one Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(CC1=O)C2CCCSC2)N3C=CC=N3

Isomeric SMILES

CCCC(=O)C1=C(CC(CC1=O)C2CCCSC2)N3C=CC=N3

InChI

InChI=1S/C18H24N2O2S/c1-2-5-16(21)18-15(20-8-4-7-19-20)10-14(11-17(18)22)13-6-3-9-23-12-13/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3