(4-tert-butylphenyl)-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]methanone IUPAC Name: (4-tert-butylphenyl)-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]methanone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O3S/c1-14-20(29-19-12-10-18(11-13-19)25(27)28)15(2)24(23-14)21(26)16-6-8-17(9-7-16)22(3,4)5/h6-13H,1-5H3