2-(1-tert-butyl-3-thiophen-2-yl-pyrazol-4-yl)ethanenitrile

Systemtic Name: 2-(1-tert-butyl-3-thiophen-2-yl-pyrazol-4-yl)ethanenitrile Openeye Name: 2-[1-tert-butyl-3-(2-thienyl)pyrazol-4-yl]acetonitrile CAS Name: 2-(1-tert-butyl-3-thiophen-2-yl-4-pyrazolyl)acetonitrile IUPAC Name: 2-(1-tert-butyl-3-thiophen-2-ylpyrazol-4-yl)acetonitrile Traditional Name: 2-[1-tert-butyl-3-(2-thienyl)pyrazol-4-yl]acetonitrile Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=CS2)CC#N

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=CS2)CC#N

InChI

InChI=1S/C13H15N3S/c1-13(2,3)16-9-10(6-7-14)12(15-16)11-5-4-8-17-11/h4-5,8-9H,6H2,1-3H3