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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=NN3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=NN3)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H11N5O3S/c14-5-8-7-3-1-2-4-10(7)22-13(8)16-12(19)11-9(18(20)21)6-15-17-11/h6H,1-4H2,(H,15,17)(H,16,19)