(3-thiocyanato-1H-indol-4-yl) benzoate

Systemtic Name: (3-thiocyanato-1H-indol-4-yl) benzoate Openeye Name: (3-thiocyanato-1H-indol-4-yl) benzoate CAS Name: benzoic acid (3-thiocyanato-1H-indol-4-yl) ester IUPAC Name: (3-thiocyanato-1H-indol-4-yl) benzoate Traditional Name: benzoic acid (3-thiocyanato-1H-indol-4-yl) ester Formula: C16H10N2O2S MolecularWeight: 294.3278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2C(=CN3)SC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2C(=CN3)SC#N

InChI

InChI=1S/C16H10N2O2S/c17-10-21-14-9-18-12-7-4-8-13(15(12)14)20-16(19)11-5-2-1-3-6-11/h1-9,18H