2-[5-(1-imidazol-1-ylbutyl)thiophen-2-yl]ethanenitrile

Systemtic Name: 2-[5-(1-imidazol-1-ylbutyl)thiophen-2-yl]ethanenitrile Openeye Name: 2-[5-(1-imidazol-1-ylbutyl)-2-thienyl]acetonitrile CAS Name: 2-[5-[1-(1-imidazolyl)butyl]-2-thiophenyl]acetonitrile IUPAC Name: 2-[5-(1-imidazol-1-ylbutyl)thiophen-2-yl]acetonitrile Traditional Name: 2-[5-(1-imidazol-1-ylbutyl)-2-thienyl]acetonitrile Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(S1)CC#N)N2C=CN=C2

Isomeric SMILES

CCCC(C1=CC=C(S1)CC#N)N2C=CN=C2

InChI

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