[1-(5-bromanylpyridin-3-yl)sulfanyl-3-(1H-indol-3-yl)propan-2-yl]carbamic acid

Systemtic Name: [1-(5-bromanylpyridin-3-yl)sulfanyl-3-(1H-indol-3-yl)propan-2-yl]carbamic acid Openeye Name: [1-[(5-bromo-3-pyridyl)sulfanylmethyl]-2-(1H-indol-3-yl)ethyl]carbamic acid CAS Name: [1-[(5-bromo-3-pyridinyl)thio]-3-(1H-indol-3-yl)propan-2-yl]carbamic acid IUPAC Name: [1-(5-bromopyridin-3-yl)sulfanyl-3-(1H-indol-3-yl)propan-2-yl]carbamic acid Traditional Name: [1-[[(5-bromo-3-pyridyl)thio]methyl]-2-(1H-indol-3-yl)ethyl]carbamic acid Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(CSC3=CC(=CN=C3)Br)NC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(CSC3=CC(=CN=C3)Br)NC(=O)O

InChI

InChI=1S/C17H16BrN3O2S/c18-12-6-14(9-19-8-12)24-10-13(21-17(22)23)5-11-7-20-16-4-2-1-3-15(11)16/h1-4,6-9,13,20-21H,5,10H2,(H,22,23)