ethyl 2-[4-(4-nitrophenyl)-2-(phenylmethylsulfanyl)imidazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-nitrophenyl)-2-(phenylmethylsulfanyl)imidazol-1-yl]ethanoate Openeye Name: ethyl 2-[2-benzylsulfanyl-4-(4-nitrophenyl)imidazol-1-yl]acetate CAS Name: 2-[4-(4-nitrophenyl)-2-(phenylmethylthio)-1-imidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-benzylsulfanyl-4-(4-nitrophenyl)imidazol-1-yl]acetate Traditional Name: 2-[2-(benzylthio)-4-(4-nitrophenyl)imidazol-1-yl]acetic acid ethyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(N=C1SCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C=C(N=C1SCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c1-2-27-19(24)13-22-12-18(16-8-10-17(11-9-16)23(25)26)21-20(22)28-14-15-6-4-3-5-7-15/h3-12H,2,13-14H2,1H3