(5Z)-5-[[3-(4-ethoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5Z)-5-[[3-(4-ethoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-[[3-(4-ethoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-hexyl-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-hexyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-5-[[3-(4-ethoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-hexyl-2-thioxo-thiazolidin-4-one Formula: C27H28N4O4S2 MolecularWeight: 536.66562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC)[N+](=O)[O-])C4=CC=CC=C4)SC1=S

Isomeric SMILES

CCCCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OCC)[N+](=O)[O-])C4=CC=CC=C4)/SC1=S

InChI

InChI=1S/C27H28N4O4S2/c1-3-5-6-10-15-29-26(32)24(37-27(29)36)17-20-18-30(21-11-8-7-9-12-21)28-25(20)19-13-14-23(35-4-2)22(16-19)31(33)34/h7-9,11-14,16-18H,3-6,10,15H2,1-2H3/b24-17-