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

Systemtic Name: 2-pyrazol-1-yl-5-(thian-3-yl)cyclohex-2-en-1-one Openeye Name: 2-pyrazol-1-yl-5-tetrahydrothiopyran-3-yl-cyclohex-2-en-1-one CAS Name: 2-(1-pyrazolyl)-5-(3-thianyl)-1-cyclohex-2-enone IUPAC Name: 2-pyrazol-1-yl-5-(thian-3-yl)cyclohex-2-en-1-one Traditional Name: 2-pyrazol-1-yl-5-tetrahydrothiopyran-3-yl-cyclohex-2-en-1-one Formula: C14H18N2OS MolecularWeight: 262.37052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CSC1)C2CC=C(C(=O)C2)N3C=CC=N3

Isomeric SMILES

C1CC(CSC1)C2CC=C(C(=O)C2)N3C=CC=N3

InChI

InChI=1S/C14H18N2OS/c17-14-9-11(12-3-1-8-18-10-12)4-5-13(14)16-7-2-6-15-16/h2,5-7,11-12H,1,3-4,8-10H2