1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-5-(3,4-dimethylphenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-5-(3,4-dimethylphenyl)pyrazole-3-carboxamide Openeye Name: N-butyl-5-(3,4-dimethylphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide CAS Name: N-butyl-5-(3,4-dimethylphenyl)-1-[(3S)-1,1-dioxo-3-thiolanyl]-3-pyrazolecarboxamide IUPAC Name: N-butyl-5-(3,4-dimethylphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide Traditional Name: N-butyl-1-[(3S)-1,1-diketothiolan-3-yl]-5-(3,4-dimethylphenyl)pyrazole-3-carboxamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=NN(C(=C1)C2=CC(=C(C=C2)C)C)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCCNC(=O)C1=NN(C(=C1)C2=CC(=C(C=C2)C)C)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C20H27N3O3S/c1-4-5-9-21-20(24)18-12-19(16-7-6-14(2)15(3)11-16)23(22-18)17-8-10-27(25,26)13-17/h6-7,11-12,17H,4-5,8-10,13H2,1-3H3,(H,21,24)/t17-/m0/s1