(1-phenylpyrazol-4-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-23(2)20(25)15-28-19-11-7-6-10-18(19)21(26)27-14-16-12-22-24(13-16)17-8-4-3-5-9-17/h3-13H,14-15H2,1-2H3