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

Systemtic Name: 2-[2-(4-iodanylpyrazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-iodopyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(4-iodo-1-pyrazolyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-iodopyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(4-iodopyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C14H15IN4O2S MolecularWeight: 430.26397

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=C(C=N3)I)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=C(C=N3)I)C(=O)N

InChI

InChI=1S/C14H15IN4O2S/c15-8-5-17-19(6-8)7-11(20)18-14-12(13(16)21)9-3-1-2-4-10(9)22-14/h5-6H,1-4,7H2,(H2,16,21)(H,18,20)