2-[2-(cyclohexylmethyl)-5-methoxy-1-benzothiophen-3-yl]ethanenitrile

Systemtic Name: 2-[2-(cyclohexylmethyl)-5-methoxy-1-benzothiophen-3-yl]ethanenitrile Openeye Name: 2-[2-(cyclohexylmethyl)-5-methoxy-benzothiophen-3-yl]acetonitrile CAS Name: 2-[2-(cyclohexylmethyl)-5-methoxy-1-benzothiophen-3-yl]acetonitrile IUPAC Name: 2-[2-(cyclohexylmethyl)-5-methoxy-1-benzothiophen-3-yl]acetonitrile Traditional Name: 2-[2-(cyclohexylmethyl)-5-methoxy-benzothiophen-3-yl]acetonitrile Formula: C18H21NOS MolecularWeight: 299.43044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=C2CC#N)CC3CCCCC3

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=C2CC#N)CC3CCCCC3

InChI

InChI=1S/C18H21NOS/c1-20-14-7-8-17-16(12-14)15(9-10-19)18(21-17)11-13-5-3-2-4-6-13/h7-8,12-13H,2-6,9,11H2,1H3