4-[[(E)-[3-(phenylmethyl)oxan-4-ylidene]methyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[(E)-[3-(phenylmethyl)oxan-4-ylidene]methyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[(E)-(3-benzyltetrahydropyran-4-ylidene)methyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[(E)-[3-(phenylmethyl)-4-oxanylidene]methyl]thio]methyl]benzonitrile IUPAC Name: 4-[[(E)-(3-benzyloxan-4-ylidene)methyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[(E)-(3-benzyltetrahydropyran-4-ylidene)methyl]thio]methyl]benzonitrile Formula: C21H21NOS MolecularWeight: 335.46254

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC(C1=CSCC2=CC=C(C=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

C\1COCC(/C1=C/SCC2=CC=C(C=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H21NOS/c22-13-18-6-8-19(9-7-18)15-24-16-20-10-11-23-14-21(20)12-17-4-2-1-3-5-17/h1-9,16,21H,10-12,14-15H2/b20-16+