3-(4-bromanylpyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 3-(4-bromopyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-(4-bromo-1-pyrazolyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-(4-bromopyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-(4-bromopyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C15H15BrN4OS MolecularWeight: 379.2748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3C=C(C=N3)Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3C=C(C=N3)Br)C#N

InChI

InChI=1S/C15H15BrN4OS/c16-10-8-18-20(9-10)6-5-14(21)19-15-12(7-17)11-3-1-2-4-13(11)22-15/h8-9H,1-6H2,(H,19,21)