N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methanimine

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methanimine Openeye Name: 1-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)methanimine CAS Name: 1-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-N-(1,1-dioxo-3-thiolanyl)methanimine IUPAC Name: 1-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)methanimine Traditional Name: [3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylene-(1,1-diketothiolan-3-yl)amine Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N=CC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)CC1N=CC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H18BrN3O2S/c21-17-8-6-15(7-9-17)20-16(12-22-18-10-11-27(25,26)14-18)13-24(23-20)19-4-2-1-3-5-19/h1-9,12-13,18H,10-11,14H2