(4-butyl-3,5-dimethyl-pyrazol-1-yl)-(3-ethoxythiophen-2-yl)methanone

Systemtic Name: (4-butyl-3,5-dimethyl-pyrazol-1-yl)-(3-ethoxythiophen-2-yl)methanone Openeye Name: (4-butyl-3,5-dimethyl-pyrazol-1-yl)-(3-ethoxy-2-thienyl)methanone CAS Name: (4-butyl-3,5-dimethyl-1-pyrazolyl)-(3-ethoxy-2-thiophenyl)methanone IUPAC Name: (4-butyl-3,5-dimethylpyrazol-1-yl)-(3-ethoxythiophen-2-yl)methanone Traditional Name: (4-butyl-3,5-dimethyl-pyrazol-1-yl)-(3-ethoxy-2-thienyl)methanone Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N=C1C)C(=O)C2=C(C=CS2)OCC)C

Isomeric SMILES

CCCCC1=C(N(N=C1C)C(=O)C2=C(C=CS2)OCC)C

InChI

InChI=1S/C16H22N2O2S/c1-5-7-8-13-11(3)17-18(12(13)4)16(19)15-14(20-6-2)9-10-21-15/h9-10H,5-8H2,1-4H3