2-[3-[3,5-bis(prop-1-en-2-yl)phenyl]-5-(4-phenylmethoxyphenyl)-4-sulfanylidene-pyridin-1-yl]ethanenitrile

Systemtic Name: 2-[3-[3,5-bis(prop-1-en-2-yl)phenyl]-5-(4-phenylmethoxyphenyl)-4-sulfanylidene-pyridin-1-yl]ethanenitrile Openeye Name: 2-[3-(4-benzyloxyphenyl)-5-(3,5-diisopropenylphenyl)-4-thioxo-1-pyridyl]acetonitrile CAS Name: 2-[3-[3,5-bis(1-methylethenyl)phenyl]-5-(4-phenylmethoxyphenyl)-4-sulfanylidene-1-pyridinyl]acetonitrile IUPAC Name: 2-[3-[3,5-bis(prop-1-en-2-yl)phenyl]-5-(4-phenylmethoxyphenyl)-4-sulfanylidenepyridin-1-yl]acetonitrile Traditional Name: 2-[3-(4-benzoxyphenyl)-5-(3,5-diisopropenylphenyl)-4-thioxo-1-pyridyl]acetonitrile Formula: C32H28N2OS MolecularWeight: 488.64252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC(=C1)C2=CN(C=C(C2=S)C3=CC=C(C=C3)OCC4=CC=CC=C4)CC#N)C(=C)C

Isomeric SMILES

CC(=C)C1=CC(=CC(=C1)C2=CN(C=C(C2=S)C3=CC=C(C=C3)OCC4=CC=CC=C4)CC#N)C(=C)C

InChI

InChI=1S/C32H28N2OS/c1-22(2)26-16-27(23(3)4)18-28(17-26)31-20-34(15-14-33)19-30(32(31)36)25-10-12-29(13-11-25)35-21-24-8-6-5-7-9-24/h5-13,16-20H,1,3,15,21H2,2,4H3