(4Z)-5-tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one

Systemtic Name: (4Z)-5-tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one Openeye Name: (4Z)-5-tert-butyl-2-phenyl-4-(2-thienylmethylene)pyrazol-3-one CAS Name: (4Z)-5-tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)-3-pyrazolone IUPAC Name: (4Z)-5-tert-butyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one Traditional Name: (4Z)-5-tert-butyl-2-phenyl-4-(2-thenylidene)-2-pyrazolin-3-one Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1=CC2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C\1=NN(C(=O)/C1=C\C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2OS/c1-18(2,3)16-15(12-14-10-7-11-22-14)17(21)20(19-16)13-8-5-4-6-9-13/h4-12H,1-3H3/b15-12-