N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazol-3-yl]-4-methoxy-benzamide

Systemtic Name: N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazol-3-yl]-4-methoxy-benzamide Openeye Name: N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-pyrazol-3-yl]-4-methoxy-benzamide CAS Name: N-[2-[(3S)-1,1-dioxo-3-thiolanyl]-5-phenyl-3-pyrazolyl]-4-methoxybenzamide IUPAC Name: N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-phenylpyrazol-3-yl]-4-methoxybenzamide Traditional Name: N-[2-[(3S)-1,1-diketothiolan-3-yl]-5-phenyl-pyrazol-3-yl]-4-methoxy-benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC(=NN2[C@H]3CCS(=O)(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c1-28-18-9-7-16(8-10-18)21(25)22-20-13-19(15-5-3-2-4-6-15)23-24(20)17-11-12-29(26,27)14-17/h2-10,13,17H,11-12,14H2,1H3,(H,22,25)/t17-/m0/s1