N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)ethanamide Openeye Name: 2-(4-nitrophenyl)-N-[4-(4-sec-butylphenyl)thiazol-2-yl]acetamide CAS Name: N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide Traditional Name: 2-(4-nitrophenyl)-N-[4-(4-sec-butylphenyl)thiazol-2-yl]acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O3S/c1-3-14(2)16-6-8-17(9-7-16)19-13-28-21(22-19)23-20(25)12-15-4-10-18(11-5-15)24(26)27/h4-11,13-14H,3,12H2,1-2H3,(H,22,23,25)