1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-methylphenyl)pyrazole-3-carbonitrile

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-methylphenyl)pyrazole-3-carbonitrile Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-(p-tolyl)pyrazole-3-carbonitrile CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-5-(4-methylphenyl)-3-pyrazolecarbonitrile IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-methylphenyl)pyrazole-3-carbonitrile Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-5-(p-tolyl)pyrazole-3-carbonitrile Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NN2C3CCS(=O)(=O)C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NN2[C@H]3CCS(=O)(=O)C3)C#N

InChI

InChI=1S/C15H15N3O2S/c1-11-2-4-12(5-3-11)15-8-13(9-16)17-18(15)14-6-7-21(19,20)10-14/h2-5,8,14H,6-7,10H2,1H3/t14-/m0/s1