5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide

Systemtic Name: 5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide Openeye Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)furan-2-carboxamide CAS Name: 5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide Traditional Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-furamide Formula: C18H14BrN5O4S MolecularWeight: 476.30386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br)C#N

InChI

InChI=1S/C18H14BrN5O4S/c19-13-9-23(22-16(13)24(26)27)8-10-5-6-14(28-10)17(25)21-18-12(7-20)11-3-1-2-4-15(11)29-18/h5-6,9H,1-4,8H2,(H,21,25)