4-(isocyanatomethyl)-3-(phenylmethoxymethyl)benzenethiol

Systemtic Name: 4-(isocyanatomethyl)-3-(phenylmethoxymethyl)benzenethiol Openeye Name: 3-(benzyloxymethyl)-4-(isocyanatomethyl)benzenethiol CAS Name: 4-(isocyanatomethyl)-3-(phenylmethoxymethyl)benzenethiol IUPAC Name: 4-(isocyanatomethyl)-3-(phenylmethoxymethyl)benzenethiol Traditional Name: 3-(benzoxymethyl)-4-(isocyanatomethyl)benzenethiol Formula: C16H15NO2S MolecularWeight: 285.3608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO2S/c18-12-17-9-14-6-7-16(20)8-15(14)11-19-10-13-4-2-1-3-5-13/h1-8,20H,9-11H2