1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-(4-methylphenoxy)ethanone

Systemtic Name: 1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-(4-methylphenoxy)ethanone Openeye Name: 1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-(4-methylphenoxy)ethanone CAS Name: 1-[3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-pyrazolyl]-2-(4-methylphenoxy)ethanone IUPAC Name: 1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]-2-(4-methylphenoxy)ethanone Traditional Name: 1-[3,5-dimethyl-4-[(2-nitrophenyl)thio]pyrazol-1-yl]-2-(4-methylphenoxy)ethanone Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)N2C(=C(C(=N2)C)SC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N2C(=C(C(=N2)C)SC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C20H19N3O4S/c1-13-8-10-16(11-9-13)27-12-19(24)22-15(3)20(14(2)21-22)28-18-7-5-4-6-17(18)23(25)26/h4-11H,12H2,1-3H3