2-[2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanylethanoyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanylethanoyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanylacetyl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[2-[(1-ethyl-5-phenyl-2-imidazolyl)thio]-1-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylacetyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[2-[(1-ethyl-5-phenyl-imidazol-2-yl)thio]acetyl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)C2=C(C3=C(S2)CCCC3)C#N)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)C2=C(C3=C(S2)CCCC3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3OS2/c1-2-25-18(15-8-4-3-5-9-15)13-24-22(25)27-14-19(26)21-17(12-23)16-10-6-7-11-20(16)28-21/h3-5,8-9,13H,2,6-7,10-11,14H2,1H3