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

Systemtic Name: (4Z)-5-tert-butyl-2-(4-nitrophenyl)-4-(thiophen-2-ylmethylidene)pyrazol-3-one Openeye Name: (4Z)-5-tert-butyl-2-(4-nitrophenyl)-4-(2-thienylmethylene)pyrazol-3-one CAS Name: (4Z)-5-tert-butyl-2-(4-nitrophenyl)-4-(thiophen-2-ylmethylidene)-3-pyrazolone IUPAC Name: (4Z)-5-tert-butyl-2-(4-nitrophenyl)-4-(thiophen-2-ylmethylidene)pyrazol-3-one Traditional Name: (4Z)-5-tert-butyl-2-(4-nitrophenyl)-4-(2-thenylidene)-2-pyrazolin-3-one Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1=CC2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C\1=NN(C(=O)/C1=C\C2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S/c1-18(2,3)16-15(11-14-5-4-10-25-14)17(22)20(19-16)12-6-8-13(9-7-12)21(23)24/h4-11H,1-3H3/b15-11-