1-[5-[2-[(3-chloranylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]prop-2-en-1-one

Systemtic Name: 1-[5-[2-[(3-chloranylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]prop-2-en-1-one Openeye Name: 1-[5-[2-[(3-chlorophenoxy)methyl]-4-methyl-thiazol-5-yl]pyrazol-1-yl]prop-2-en-1-one CAS Name: 1-[5-[2-[(3-chlorophenoxy)methyl]-4-methyl-5-thiazolyl]-1-pyrazolyl]-2-propen-1-one IUPAC Name: 1-[5-[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]pyrazol-1-yl]prop-2-en-1-one Traditional Name: 1-[5-[2-[(3-chlorophenoxy)methyl]-4-methyl-thiazol-5-yl]pyrazol-1-yl]prop-2-en-1-one Formula: C17H14ClN3O2S MolecularWeight: 359.82996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)COC2=CC(=CC=C2)Cl)C3=CC=NN3C(=O)C=C

Isomeric SMILES

CC1=C(SC(=N1)COC2=CC(=CC=C2)Cl)C3=CC=NN3C(=O)C=C

InChI

InChI=1S/C17H14ClN3O2S/c1-3-16(22)21-14(7-8-19-21)17-11(2)20-15(24-17)10-23-13-6-4-5-12(18)9-13/h3-9H,1,10H2,2H3