1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazole-3-carbonitrile

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazole-3-carbonitrile Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-pyrazole-3-carbonitrile CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-5-phenyl-3-pyrazolecarbonitrile IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-phenylpyrazole-3-carbonitrile Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-5-phenyl-pyrazole-3-carbonitrile Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=CC(=N2)C#N)C3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=CC(=N2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C14H13N3O2S/c15-9-12-8-14(11-4-2-1-3-5-11)17(16-12)13-6-7-20(18,19)10-13/h1-5,8,13H,6-7,10H2/t13-/m0/s1