1-ethoxy-4-[(4-ethoxyphenyl)-isothiocyanato-methyl]benzene

Systemtic Name: 1-ethoxy-4-[(4-ethoxyphenyl)-isothiocyanato-methyl]benzene Openeye Name: 1-ethoxy-4-[(4-ethoxyphenyl)-isothiocyanato-methyl]benzene CAS Name: 1-ethoxy-4-[(4-ethoxyphenyl)-isothiocyanatomethyl]benzene IUPAC Name: 1-ethoxy-4-[(4-ethoxyphenyl)-isothiocyanatomethyl]benzene Traditional Name: 1-ethoxy-4-[isothiocyanato(p-phenetyl)methyl]benzene Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)N=C=S

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)N=C=S

InChI

InChI=1S/C18H19NO2S/c1-3-20-16-9-5-14(6-10-16)18(19-13-22)15-7-11-17(12-8-15)21-4-2/h5-12,18H,3-4H2,1-2H3