2-[3-(1-imidazol-1-ylbutyl)thiophen-2-yl]ethanenitrile

Systemtic Name: 2-[3-(1-imidazol-1-ylbutyl)thiophen-2-yl]ethanenitrile Openeye Name: 2-[3-(1-imidazol-1-ylbutyl)-2-thienyl]acetonitrile CAS Name: 2-[3-[1-(1-imidazolyl)butyl]-2-thiophenyl]acetonitrile IUPAC Name: 2-[3-(1-imidazol-1-ylbutyl)thiophen-2-yl]acetonitrile Traditional Name: 2-[3-(1-imidazol-1-ylbutyl)-2-thienyl]acetonitrile Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(SC=C1)CC#N)N2C=CN=C2

Isomeric SMILES

CCCC(C1=C(SC=C1)CC#N)N2C=CN=C2

InChI

InChI=1S/C13H15N3S/c1-2-3-12(16-8-7-15-10-16)11-5-9-17-13(11)4-6-14/h5,7-10,12H,2-4H2,1H3