2-[1-(2,6-diethylphenyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[1-(2,6-diethylphenyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[1-(2,6-diethylphenyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[1-(2,6-diethylphenyl)-2-imidazolyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[1-(2,6-diethylphenyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[1-(2,6-diethylphenyl)imidazol-2-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C=CN=C2SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C=CN=C2SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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