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

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-furan-2-carboxamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-nitro-furan-2-carboxamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-2-furancarboxamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitrofuran-2-carboxamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-nitro-2-furamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-18(2,3)10-4-5-11-12(9-19)17(26-14(11)8-10)20-16(22)13-6-7-15(25-13)21(23)24/h6-7,10H,4-5,8H2,1-3H3,(H,20,22)