2-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(4-bromopyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(4-bromopyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-(4-bromopyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C15H17BrN4O2S MolecularWeight: 397.29008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN4O2S/c16-9-7-18-20(8-9)6-5-12(21)19-15-13(14(17)22)10-3-1-2-4-11(10)23-15/h7-8H,1-6H2,(H2,17,22)(H,19,21)