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

Systemtic Name: 2-[5-(1-imidazol-1-yl-1-iodanyl-butyl)thiophen-2-yl]ethanenitrile Openeye Name: 2-[5-(1-imidazol-1-yl-1-iodo-butyl)-2-thienyl]acetonitrile CAS Name: 2-[5-[1-(1-imidazolyl)-1-iodobutyl]-2-thiophenyl]acetonitrile IUPAC Name: 2-[5-(1-imidazol-1-yl-1-iodobutyl)thiophen-2-yl]acetonitrile Traditional Name: 2-[5-(1-imidazol-1-yl-1-iodo-butyl)-2-thienyl]acetonitrile Formula: C13H14IN3S MolecularWeight: 371.23983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14IN3S/c1-2-6-13(14,17-9-8-16-10-17)12-4-3-11(18-12)5-7-15/h3-4,8-10H,2,5-6H2,1H3