N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide Openeye Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[(3S)-1,1-dioxo-3-thiolanyl]propanamide IUPAC Name: 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propionamide Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NC3CCS(=O)(=O)C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)N[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C18H23N3O3S/c1-13-17(14(2)21(20-13)16-6-4-3-5-7-16)8-9-18(22)19-15-10-11-25(23,24)12-15/h3-7,15H,8-12H2,1-2H3,(H,19,22)/t15-/m0/s1