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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C20H17N5O4S MolecularWeight: 423.44508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-])C#N

InChI

InChI=1S/C20H17N5O4S/c21-11-14-13-5-1-4-8-18(13)30-20(14)22-19(26)15-9-10-24(23-15)12-29-17-7-3-2-6-16(17)25(27)28/h2-3,6-7,9-10H,1,4-5,8,12H2,(H,22,26)