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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methanimine Openeye Name: N-(1,1-dioxothiolan-3-yl)-1-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methanimine CAS Name: N-(1,1-dioxo-3-thiolanyl)-1-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methanimine IUPAC Name: N-(1,1-dioxothiolan-3-yl)-1-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanimine Traditional Name: (1,1-diketothiolan-3-yl)-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylene]amine Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=NC3CCS(=O)(=O)C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C=NC3CCS(=O)(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c1-16-7-9-17(10-8-16)21-18(13-22-19-11-12-27(25,26)15-19)14-24(23-21)20-5-3-2-4-6-20/h2-10,13-14,19H,11-12,15H2,1H3