4-azanyl-2-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-methyl-5-phenyl-pyrazol-3-one

Systemtic Name: 4-azanyl-2-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-methyl-5-phenyl-pyrazol-3-one Openeye Name: 4-amino-2-(1,1-dioxothiolan-3-yl)-1-methyl-5-phenyl-pyrazol-3-one CAS Name: 4-amino-2-(1,1-dioxo-3-thiolanyl)-1-methyl-5-phenyl-3-pyrazolone IUPAC Name: 4-amino-2-(1,1-dioxothiolan-3-yl)-1-methyl-5-phenylpyrazol-3-one Traditional Name: 4-amino-2-(1,1-diketothiolan-3-yl)-1-methyl-5-phenyl-3-pyrazolin-3-one Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2CCS(=O)(=O)C2)N)C3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C(=O)N1C2CCS(=O)(=O)C2)N)C3=CC=CC=C3

InChI

InChI=1S/C14H17N3O3S/c1-16-13(10-5-3-2-4-6-10)12(15)14(18)17(16)11-7-8-21(19,20)9-11/h2-6,11H,7-9,15H2,1H3