N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanamide Openeye Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-thiochroman-4-yl-acetamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]acetamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide Traditional Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-thiochroman-4-yl-acetamide Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)CC3=CN(N=C3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC(=O)CC3=CN(N=C3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O3S/c31-25(27-23-14-15-34-24-9-5-4-8-22(23)24)16-19-17-29(20-6-2-1-3-7-20)28-26(19)18-10-12-21(13-11-18)30(32)33/h1-13,17,23H,14-16H2,(H,27,31)