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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(4-nitro-1-pyrazolyl)methyl]-2-furancarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-[(4-nitropyrazol-1-yl)methyl]-2-furamide Formula: C18H17N5O5S MolecularWeight: 415.42308

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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-])C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O5S/c19-16(24)15-12-3-1-2-4-14(12)29-18(15)21-17(25)13-6-5-11(28-13)9-22-8-10(7-20-22)23(26)27/h5-8H,1-4,9H2,(H2,19,24)(H,21,25)