N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-furan-2-carboxamide

Systemtic Name: N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-furan-2-carboxamide Openeye Name: N-(3-cyano-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-nitro-furan-2-carboxamide CAS Name: N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-2-furancarboxamide IUPAC Name: N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitrofuran-2-carboxamide Traditional Name: N-(3-cyano-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-nitro-2-furamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-2-3-10-4-5-11-12(9-18)17(25-14(11)8-10)19-16(21)13-6-7-15(24-13)20(22)23/h6-7,10H,2-5,8H2,1H3,(H,19,21)