3-(2-isothiocyanatoethyl)-5-phenylmethoxy-1H-indole

Systemtic Name: 3-(2-isothiocyanatoethyl)-5-phenylmethoxy-1H-indole Openeye Name: 5-benzyloxy-3-(2-isothiocyanatoethyl)-1H-indole CAS Name: 3-(2-isothiocyanatoethyl)-5-phenylmethoxy-1H-indole IUPAC Name: 3-(2-isothiocyanatoethyl)-5-phenylmethoxy-1H-indole Traditional Name: 5-benzoxy-3-(2-isothiocyanatoethyl)-1H-indole Formula: C18H16N2OS MolecularWeight: 308.39744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN=C=S

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN=C=S

InChI

InChI=1S/C18H16N2OS/c22-13-19-9-8-15-11-20-18-7-6-16(10-17(15)18)21-12-14-4-2-1-3-5-14/h1-7,10-11,20H,8-9,12H2