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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-methyl-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-methyl-1,3-diphenyl-pyrazole-4-carboxamide Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C26H22N4OS/c1-17-23(25(31)28-26-21(16-27)20-14-8-9-15-22(20)32-26)24(18-10-4-2-5-11-18)29-30(17)19-12-6-3-7-13-19/h2-7,10-13H,8-9,14-15H2,1H3,(H,28,31)