2-[[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methoxy]ethyl carbamate

Systemtic Name: 2-[[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methoxy]ethyl carbamate Openeye Name: 2-[[4-isopropyl-5-(3-nitrophenyl)sulfanyl-1-(3-pyridylmethyl)imidazol-2-yl]methoxy]ethyl carbamate CAS Name: carbamic acid 2-[[5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-(3-pyridinylmethyl)-2-imidazolyl]methoxy]ethyl ester IUPAC Name: 2-[[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methoxy]ethyl carbamate Traditional Name: carbamic acid 2-[[4-isopropyl-5-[(3-nitrophenyl)thio]-1-(3-pyridylmethyl)imidazol-2-yl]methoxy]ethyl ester Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=N1)COCCOC(=O)N)CC2=CN=CC=C2)SC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(N(C(=N1)COCCOC(=O)N)CC2=CN=CC=C2)SC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O5S/c1-15(2)20-21(33-18-7-3-6-17(11-18)27(29)30)26(13-16-5-4-8-24-12-16)19(25-20)14-31-9-10-32-22(23)28/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H2,23,28)