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4-[(3-chlorophenyl)methoxymethyl]-1H-isothiochromene-6-carbonitrile

4-[(3-chlorophenyl)methoxymethyl]-1H-isothiochromene-6-carbonitrile

Systemtic Name:4-[(3-chlorophenyl)methoxymethyl]-1H-isothiochromene-6-carbonitrile
Openeye Name:4-[(3-chlorophenyl)methoxymethyl]-1H-isothiochromene-6-carbonitrile
CAS Name:4-[(3-chlorophenyl)methoxymethyl]-1H-2-benzothiopyran-6-carbonitrile
IUPAC Name:4-[(3-chlorophenyl)methoxymethyl]-1H-isothiochromene-6-carbonitrile
Traditional Name:4-[(3-chlorobenzyl)oxymethyl]-1H-isothiochromene-6-carbonitrile
Formula: C18H14ClNOS
MolecularWeight: 327.82786
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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C#N)C(=CS1)COCC3=CC(=CC=C3)Cl


Isomeric SMILES

C1C2=C(C=C(C=C2)C#N)C(=CS1)COCC3=CC(=CC=C3)Cl


InChI

InChI=1S/C18H14ClNOS/c19-17-3-1-2-14(6-17)9-21-10-16-12-22-11-15-5-4-13(8-20)7-18(15)16/h1-7,12H,9-11H2


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