4-(2-isocyanatoethyl)-3-(phenylmethoxymethyl)benzenethiol

Systemtic Name: 4-(2-isocyanatoethyl)-3-(phenylmethoxymethyl)benzenethiol Openeye Name: 3-(benzyloxymethyl)-4-(2-isocyanatoethyl)benzenethiol CAS Name: 4-(2-isocyanatoethyl)-3-(phenylmethoxymethyl)benzenethiol IUPAC Name: 4-(2-isocyanatoethyl)-3-(phenylmethoxymethyl)benzenethiol Traditional Name: 3-(benzoxymethyl)-4-(2-isocyanatoethyl)benzenethiol Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=C(C=CC(=C2)S)CCN=C=O

Isomeric SMILES

C1=CC=C(C=C1)COCC2=C(C=CC(=C2)S)CCN=C=O

InChI

InChI=1S/C17H17NO2S/c19-13-18-9-8-15-6-7-17(21)10-16(15)12-20-11-14-4-2-1-3-5-14/h1-7,10,21H,8-9,11-12H2