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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dimethylphenyl)-N-(1,1-dioxo-3-thiolanyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(1,1-diketothiolan-3-yl)-3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3CCS(=O)(=O)C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H23N3O3S/c1-15-8-9-17(12-16(15)2)21-20(13-25(24-21)19-6-4-3-5-7-19)22(26)23-18-10-11-29(27,28)14-18/h3-9,12-13,18H,10-11,14H2,1-2H3,(H,23,26)