(E)-N-[(5-bromanylpyridin-2-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(5-bromanylpyridin-2-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(5-bromo-2-pyridyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(5-bromopyridin-2-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(5-bromo-2-pyridyl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C15H11BrN4O3S MolecularWeight: 407.24184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC(=S)NC2=NC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC(=S)NC2=NC=C(C=C2)Br

InChI

InChI=1S/C15H11BrN4O3S/c16-11-5-6-13(17-9-11)18-15(24)19-14(21)7-4-10-2-1-3-12(8-10)20(22)23/h1-9H,(H2,17,18,19,21,24)/b7-4+