(E)-N-[1-(2-azanyl-2-oxidanylidene-ethyl)pyrazol-4-yl]-3-(5-bromanylthiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[1-(2-azanyl-2-oxidanylidene-ethyl)pyrazol-4-yl]-3-(5-bromanylthiophen-2-yl)prop-2-enamide Openeye Name: (E)-N-[1-(2-amino-2-oxo-ethyl)pyrazol-4-yl]-3-(5-bromo-2-thienyl)prop-2-enamide CAS Name: (E)-N-[1-(2-amino-2-oxoethyl)-4-pyrazolyl]-3-(5-bromo-2-thiophenyl)-2-propenamide IUPAC Name: (E)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(5-bromothiophen-2-yl)prop-2-enamide Traditional Name: (E)-N-[1-(2-amino-2-keto-ethyl)pyrazol-4-yl]-3-(5-bromo-2-thienyl)acrylamide Formula: C12H11BrN4O2S MolecularWeight: 355.21034

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)C=CC(=O)NC2=CN(N=C2)CC(=O)N

Isomeric SMILES

C1=C(SC(=C1)Br)/C=C/C(=O)NC2=CN(N=C2)CC(=O)N

InChI

InChI=1S/C12H11BrN4O2S/c13-10-3-1-9(20-10)2-4-12(19)16-8-5-15-17(6-8)7-11(14)18/h1-6H,7H2,(H2,14,18)(H,16,19)/b4-2+