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

Systemtic Name: 4-[(4-methylphenyl)methoxymethyl]-1H-isothiochromene-6-carbonitrile Openeye Name: 4-(p-tolylmethoxymethyl)-1H-isothiochromene-6-carbonitrile CAS Name: 4-[(4-methylphenyl)methoxymethyl]-1H-2-benzothiopyran-6-carbonitrile IUPAC Name: 4-[(4-methylphenyl)methoxymethyl]-1H-isothiochromene-6-carbonitrile Traditional Name: 4-[(4-methylbenzyl)oxymethyl]-1H-isothiochromene-6-carbonitrile Formula: C19H17NOS MolecularWeight: 307.40938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COCC2=CSCC3=C2C=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)COCC2=CSCC3=C2C=C(C=C3)C#N

InChI

InChI=1S/C19H17NOS/c1-14-2-4-15(5-3-14)10-21-11-18-13-22-12-17-7-6-16(9-20)8-19(17)18/h2-8,13H,10-12H2,1H3