5-(2-methoxy-2-oxidanylidene-ethyl)-2-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]pyrazol-3-olate

Systemtic Name: 5-(2-methoxy-2-oxidanylidene-ethyl)-2-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]pyrazol-3-olate Openeye Name: 5-(2-methoxy-2-oxo-ethyl)-2-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]pyrazol-3-olate CAS Name: 5-(2-methoxy-2-oxoethyl)-2-[4-[oxo-[2-(phenylthio)ethylamino]methyl]phenyl]-3-pyrazololate IUPAC Name: 5-(2-methoxy-2-oxoethyl)-2-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]pyrazol-3-olate Traditional Name: 5-(2-keto-2-methoxy-ethyl)-2-[4-[2-(phenylthio)ethylcarbamoyl]phenyl]pyrazol-3-olate Formula: C21H20N3O4S- MolecularWeight: 410.4662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN(C(=C1)[O-])C2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1=NN(C(=C1)[O-])C2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-28-20(26)14-16-13-19(25)24(23-16)17-9-7-15(8-10-17)21(27)22-11-12-29-18-5-3-2-4-6-18/h2-10,13,25H,11-12,14H2,1H3,(H,22,27)/p-1