[[5-(diphenylmethyl)-2-(2-oxidanylidene-3-sulfanylidene-azetidin-1-yl)phenyl]-(1-methylpyrazol-3-yl)methyl] ethanoate

Systemtic Name: [[5-(diphenylmethyl)-2-(2-oxidanylidene-3-sulfanylidene-azetidin-1-yl)phenyl]-(1-methylpyrazol-3-yl)methyl] ethanoate Openeye Name: [[5-benzhydryl-2-(2-oxo-3-thioxo-azetidin-1-yl)phenyl]-(1-methylpyrazol-3-yl)methyl] acetate CAS Name: acetic acid [[5-(diphenylmethyl)-2-(2-oxo-3-sulfanylidene-1-azetidinyl)phenyl]-(1-methyl-3-pyrazolyl)methyl] ester IUPAC Name: [[5-benzhydryl-2-(2-oxo-3-sulfanylideneazetidin-1-yl)phenyl]-(1-methylpyrazol-3-yl)methyl] acetate Traditional Name: acetic acid [[5-benzhydryl-2-(2-keto-3-thioxo-azetidin-1-yl)phenyl]-(1-methylpyrazol-3-yl)methyl] ester Formula: C29H25N3O3S MolecularWeight: 495.5921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=NN(C=C1)C)C2=C(C=CC(=C2)C(C3=CC=CC=C3)C4=CC=CC=C4)N5CC(=S)C5=O

Isomeric SMILES

CC(=O)OC(C1=NN(C=C1)C)C2=C(C=CC(=C2)C(C3=CC=CC=C3)C4=CC=CC=C4)N5CC(=S)C5=O

InChI

InChI=1S/C29H25N3O3S/c1-19(33)35-28(24-15-16-31(2)30-24)23-17-22(13-14-25(23)32-18-26(36)29(32)34)27(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17,27-28H,18H2,1-2H3