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

Systemtic Name: 3-(2-isothiocyanatoethyl)-5-methoxy-1H-indole Openeye Name: 3-(2-isothiocyanatoethyl)-5-methoxy-1H-indole CAS Name: 3-(2-isothiocyanatoethyl)-5-methoxy-1H-indole IUPAC Name: 3-(2-isothiocyanatoethyl)-5-methoxy-1H-indole Traditional Name: 3-(2-isothiocyanatoethyl)-5-methoxy-1H-indole Formula: C12H12N2OS MolecularWeight: 232.30148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCN=C=S

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCN=C=S

InChI

InChI=1S/C12H12N2OS/c1-15-10-2-3-12-11(6-10)9(7-14-12)4-5-13-8-16/h2-3,6-7,14H,4-5H2,1H3