2-[3-chloranyl-4-(4-chloranylpyrazol-1-yl)phenyl]propanal; thiomorpholin-4-ide

Systemtic Name: 2-[3-chloranyl-4-(4-chloranylpyrazol-1-yl)phenyl]propanal; thiomorpholin-4-ide Openeye Name: 2-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]propanal; thiomorpholin-4-ide CAS Name: 2-[3-chloro-4-(4-chloro-1-pyrazolyl)phenyl]propanal; thiomorpholin-4-ide IUPAC Name: 2-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]propanal; thiomorpholin-4-ide Traditional Name: 2-[3-chloro-4-(4-chloropyrazol-1-yl)phenyl]propionaldehyde; thiomorpholin-4-ide Formula: C16H18Cl2N3OS- MolecularWeight: 371.30462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)C1=CC(=C(C=C1)N2C=C(C=N2)Cl)Cl.C1CSCC[N-]1

Isomeric SMILES

CC(C=O)C1=CC(=C(C=C1)N2C=C(C=N2)Cl)Cl.C1CSCC[N-]1

InChI

InChI=1S/C12H10Cl2N2O.C4H8NS/c1-8(7-17)9-2-3-12(11(14)4-9)16-6-10(13)5-15-16;1-3-6-4-2-5-1/h2-8H,1H3;1-4H2/q;-1