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2-[1-methyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-2-yl]ethyl ethanoate

2-[1-methyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-2-yl]ethyl ethanoate

Systemtic Name:2-[1-methyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-2-yl]ethyl ethanoate
Openeye Name:2-[4-isopropyl-1-methyl-5-(3-nitrophenyl)sulfanyl-imidazol-2-yl]ethyl acetate
CAS Name:acetic acid 2-[1-methyl-5-[(3-nitrophenyl)thio]-4-propan-2-yl-2-imidazolyl]ethyl ester
IUPAC Name:2-[1-methyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]ethyl acetate
Traditional Name:acetic acid 2-[4-isopropyl-1-methyl-5-[(3-nitrophenyl)thio]imidazol-2-yl]ethyl ester
Formula: C17H21N3O4S
MolecularWeight: 363.43134
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=N1)CCOC(=O)C)C)SC2=CC=CC(=C2)[N+](=O)[O-]


Isomeric SMILES

CC(C)C1=C(N(C(=N1)CCOC(=O)C)C)SC2=CC=CC(=C2)[N+](=O)[O-]


InChI

InChI=1S/C17H21N3O4S/c1-11(2)16-17(19(4)15(18-16)8-9-24-12(3)21)25-14-7-5-6-13(10-14)20(22)23/h5-7,10-11H,8-9H2,1-4H3


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