4-[(Z)-(4-bromanylpyrrol-2-ylidene)methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(Z)-(4-bromanylpyrrol-2-ylidene)methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(Z)-(4-bromopyrrol-2-ylidene)methyl]-5-(2-thienyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(Z)-(4-bromo-2-pyrrolylidene)methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(Z)-(4-bromopyrrol-2-ylidene)methyl]-5-thiophen-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(Z)-(4-bromopyrrol-2-ylidene)methyl]-5-(2-thienyl)-3-pyrazolin-3-one Formula: C12H8BrN3OS MolecularWeight: 322.18042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C(=O)NN2)C=C3C=C(C=N3)Br

Isomeric SMILES

C1=CSC(=C1)C2=C(C(=O)NN2)/C=C\3/C=C(C=N3)Br

InChI

InChI=1S/C12H8BrN3OS/c13-7-4-8(14-6-7)5-9-11(15-16-12(9)17)10-2-1-3-18-10/h1-6H,(H2,15,16,17)/b8-5-