2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-(3-propoxypropyl)-1,3-thiazinan-4-one

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-(3-propoxypropyl)-1,3-thiazinan-4-one Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-(3-propoxypropyl)-1,3-thiazinan-4-one CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-(3-propoxypropyl)-1,3-thiazinan-4-one IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(3-propoxypropyl)-1,3-thiazinan-4-one Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-(3-propoxypropyl)-1,3-thiazinan-4-one Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCN1C(SCCC1=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCCOCCCN1C(SCCC1=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H29N3O2S/c1-4-13-26-14-8-12-23-19(25)11-15-27-21(23)20-16(2)22-24(17(20)3)18-9-6-5-7-10-18/h5-7,9-10,21H,4,8,11-15H2,1-3H3