N-(4-butylphenyl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[1-(4-nitrophenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[[1-(4-nitrophenyl)imidazol-2-yl]thio]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-2-3-4-16-5-7-17(8-6-16)23-20(26)15-29-21-22-13-14-24(21)18-9-11-19(12-10-18)25(27)28/h5-14H,2-4,15H2,1H3,(H,23,26)