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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(4-phenylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C26H22N4O2S/c27-16-22-21-8-4-5-9-24(21)33-26(22)28-25(31)23-14-15-30(29-23)17-32-20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-3,6-7,10-15H,4-5,8-9,17H2,(H,28,31)