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

Systemtic Name: 2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-bromanyl-2-methyl-phenyl)pyrazol-3-amine Openeye Name: 5-(4-bromo-2-methyl-phenyl)-2-(1,1-dioxothiolan-3-yl)pyrazol-3-amine CAS Name: 5-(4-bromo-2-methylphenyl)-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolamine IUPAC Name: 5-(4-bromo-2-methylphenyl)-2-(1,1-dioxothiolan-3-yl)pyrazol-3-amine Traditional Name: [5-(4-bromo-2-methyl-phenyl)-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]amine Formula: C14H16BrN3O2S MolecularWeight: 370.26474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C2=NN(C(=C2)N)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C2=NN(C(=C2)N)C3CCS(=O)(=O)C3

InChI

InChI=1S/C14H16BrN3O2S/c1-9-6-10(15)2-3-12(9)13-7-14(16)18(17-13)11-4-5-21(19,20)8-11/h2-3,6-7,11H,4-5,8,16H2,1H3