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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-4-nitro-pyrazole-3-carboxamide Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C14H13N5O3S/c1-18-12(10(7-16-18)19(21)22)13(20)17-14-9(6-15)8-4-2-3-5-11(8)23-14/h7H,2-5H2,1H3,(H,17,20)