5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-(p-tolylmethyl)-2-thioxo-thiazolidin-4-one CAS Name: 5-[[3-(4-methoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-(4-methylbenzyl)-2-thioxo-thiazolidin-4-one Formula: C28H22N4O4S2 MolecularWeight: 542.62868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C(=CC3=CN(N=C3C4=CC(=C(C=C4)OC)[N+](=O)[O-])C5=CC=CC=C5)SC2=S

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C(=CC3=CN(N=C3C4=CC(=C(C=C4)OC)[N+](=O)[O-])C5=CC=CC=C5)SC2=S

InChI

InChI=1S/C28H22N4O4S2/c1-18-8-10-19(11-9-18)16-30-27(33)25(38-28(30)37)15-21-17-31(22-6-4-3-5-7-22)29-26(21)20-12-13-24(36-2)23(14-20)32(34)35/h3-15,17H,16H2,1-2H3