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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C14H13N5O4S MolecularWeight: 347.34912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C14H13N5O4S/c1-23-13-11(19(21)22)10(17-18-13)12(20)16-14-8(6-15)7-4-2-3-5-9(7)24-14/h2-5H2,1H3,(H,16,20)(H,17,18)