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

Systemtic Name: (4Z)-5-tert-butyl-2-phenyl-4-(thiophen-3-ylmethylidene)pyrazol-3-one Openeye Name: (4Z)-5-tert-butyl-2-phenyl-4-(3-thienylmethylene)pyrazol-3-one CAS Name: (4Z)-5-tert-butyl-2-phenyl-4-(3-thiophenylmethylidene)-3-pyrazolone IUPAC Name: (4Z)-5-tert-butyl-2-phenyl-4-(thiophen-3-ylmethylidene)pyrazol-3-one Traditional Name: (4Z)-5-tert-butyl-2-phenyl-4-(3-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=CSC=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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