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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3-diphenyl-pyrazole-4-carboxamide Formula: C25H20N4OS MolecularWeight: 424.5175

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C25H20N4OS/c26-15-20-19-13-7-8-14-22(19)31-25(20)27-24(30)21-16-29(18-11-5-2-6-12-18)28-23(21)17-9-3-1-4-10-17/h1-6,9-12,16H,7-8,13-14H2,(H,27,30)