(2-methyl-7-phenacyl-pyrrolo[2,3-b]pyridin-3-yl) thiocyanate hydrochloride

Systemtic Name: (2-methyl-7-phenacyl-pyrrolo[2,3-b]pyridin-3-yl) thiocyanate hydrochloride Openeye Name: (2-methyl-7-phenacyl-pyrrolo[2,3-b]pyridin-3-yl) thiocyanate hydrochloride CAS Name: thiocyanic acid (2-methyl-7-phenacyl-3-pyrrolo[2,3-b]pyridinyl) ester hydrochloride IUPAC Name: (2-methyl-7-phenacylpyrrolo[2,3-b]pyridin-3-yl) thiocyanate hydrochloride Traditional Name: thiocyanic acid (2-methyl-7-phenacyl-pyrrolo[2,3-b]pyridin-3-yl) ester hydrochloride Formula: C17H14ClN3OS MolecularWeight: 343.83056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CN(C2=N1)CC(=O)C3=CC=CC=C3)SC#N.Cl

Isomeric SMILES

CC1=C(C2=CC=CN(C2=N1)CC(=O)C3=CC=CC=C3)SC#N.Cl

InChI

InChI=1S/C17H13N3OS.ClH/c1-12-16(22-11-18)14-8-5-9-20(17(14)19-12)10-15(21)13-6-3-2-4-7-13;/h2-9H,10H2,1H3;1H