(E)-4-(1,3-diphenylpyrazol-4-yl)-1-phenyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)but-3-en-1-one

Systemtic Name: (E)-4-(1,3-diphenylpyrazol-4-yl)-1-phenyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)but-3-en-1-one Openeye Name: (E)-4-(1,3-diphenylpyrazol-4-yl)-1-phenyl-3-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)but-3-en-1-one CAS Name: (E)-4-(1,3-diphenyl-4-pyrazolyl)-1-phenyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-3-buten-1-one IUPAC Name: (E)-4-(1,3-diphenylpyrazol-4-yl)-1-phenyl-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)but-3-en-1-one Traditional Name: (E)-4-(1,3-diphenylpyrazol-4-yl)-1-phenyl-3-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)but-3-en-1-one Formula: C27H20N4O2S MolecularWeight: 464.5383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(CC(=O)C3=CC=CC=C3)C4=NNC(=S)O4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C(\CC(=O)C3=CC=CC=C3)/C4=NNC(=S)O4)C5=CC=CC=C5

InChI

InChI=1S/C27H20N4O2S/c32-24(19-10-4-1-5-11-19)17-21(26-28-29-27(34)33-26)16-22-18-31(23-14-8-3-9-15-23)30-25(22)20-12-6-2-7-13-20/h1-16,18H,17H2,(H,29,34)/b21-16+