N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c25-21(22-18-11-13-29(26,27)14-18)20-10-12-24(23-20)15-28-19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-10,12,18H,11,13-15H2,(H,22,25)/t18-/m0/s1