(E)-N-(5-bromanylthiophen-2-yl)sulfonyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-(5-bromanylthiophen-2-yl)sulfonyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[(5-bromo-2-thienyl)sulfonyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[(5-bromo-2-thiophenyl)sulfonyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(5-bromothiophen-2-yl)sulfonyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[(5-bromo-2-thienyl)sulfonyl]-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C16H12BrN3O3S2 MolecularWeight: 438.31878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=CC(=O)NS(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C/C(=O)NS(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H12BrN3O3S2/c17-14-7-9-16(24-14)25(22,23)19-15(21)8-6-12-10-18-20(11-12)13-4-2-1-3-5-13/h1-11H,(H,19,21)/b8-6+