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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(3-nitrophenyl)-2-furamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S/c1-12-5-6-15-16(11-22)21(29-19(15)9-12)23-20(25)18-8-7-17(28-18)13-3-2-4-14(10-13)24(26)27/h2-4,7-8,10,12H,5-6,9H2,1H3,(H,23,25)