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

Systemtic Name: 3-[(4-methylphenyl)methyl]-5-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-(p-tolylmethyl)-2-thioxo-thiazolidin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-5-[[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 3-[(4-methylphenyl)methyl]-5-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 3-(4-methylbenzyl)-5-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C27H20N4O3S2 MolecularWeight: 512.6027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H20N4O3S2/c1-18-10-12-19(13-11-18)16-29-26(32)24(36-27(29)35)15-21-17-30(22-7-3-2-4-8-22)28-25(21)20-6-5-9-23(14-20)31(33)34/h2-15,17H,16H2,1H3