1,3-diethyl-2-isothiocyanato-5-(phenylmethyl)benzene

Systemtic Name: 1,3-diethyl-2-isothiocyanato-5-(phenylmethyl)benzene Openeye Name: 5-benzyl-1,3-diethyl-2-isothiocyanato-benzene CAS Name: 1,3-diethyl-2-isothiocyanato-5-(phenylmethyl)benzene IUPAC Name: 5-benzyl-1,3-diethyl-2-isothiocyanatobenzene Traditional Name: 5-benzyl-1,3-diethyl-2-isothiocyanato-benzene Formula: C18H19NS MolecularWeight: 281.41516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1N=C=S)CC)CC2=CC=CC=C2

Isomeric SMILES

CCC1=CC(=CC(=C1N=C=S)CC)CC2=CC=CC=C2

InChI

InChI=1S/C18H19NS/c1-3-16-11-15(10-14-8-6-5-7-9-14)12-17(4-2)18(16)19-13-20/h5-9,11-12H,3-4,10H2,1-2H3