2-(3-isothiocyanato-4-methoxy-phenyl)-1H-indole

Systemtic Name: 2-(3-isothiocyanato-4-methoxy-phenyl)-1H-indole Openeye Name: 2-(3-isothiocyanato-4-methoxy-phenyl)-1H-indole CAS Name: 2-(3-isothiocyanato-4-methoxyphenyl)-1H-indole IUPAC Name: 2-(3-isothiocyanato-4-methoxyphenyl)-1H-indole Traditional Name: 2-(3-isothiocyanato-4-methoxy-phenyl)-1H-indole Formula: C16H12N2OS MolecularWeight: 280.34428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3N2)N=C=S

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3N2)N=C=S

InChI

InChI=1S/C16H12N2OS/c1-19-16-7-6-12(9-15(16)17-10-20)14-8-11-4-2-3-5-13(11)18-14/h2-9,18H,1H3