N-(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(4-bromanylpyrazol-1-yl)methyl]furan-2-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(4-bromanylpyrazol-1-yl)methyl]furan-2-carboxamide Openeye Name: 5-[(4-bromopyrazol-1-yl)methyl]-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)furan-2-carboxamide CAS Name: 5-[(4-bromo-1-pyrazolyl)methyl]-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-furancarboxamide IUPAC Name: 5-[(4-bromopyrazol-1-yl)methyl]-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide Traditional Name: 5-[(4-bromopyrazol-1-yl)methyl]-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-furamide Formula: C19H19BrN4O3S MolecularWeight: 463.34816

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)Br

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)Br

InChI

InChI=1S/C19H19BrN4O3S/c1-10-2-4-13-15(6-10)28-19(16(13)17(21)25)23-18(26)14-5-3-12(27-14)9-24-8-11(20)7-22-24/h3,5,7-8,10H,2,4,6,9H2,1H3,(H2,21,25)(H,23,26)