N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-3-(3-methoxyphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(1,1-diketothiolan-3-yl)-3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4

InChI

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