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

Systemtic Name: 3-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-2-yl]propyl carbamate Openeye Name: 3-[4-isopropyl-5-(3-nitrophenyl)sulfanyl-1-(2-pyridylmethyl)imidazol-2-yl]propyl carbamate CAS Name: carbamic acid 3-[5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-(2-pyridinylmethyl)-2-imidazolyl]propyl ester IUPAC Name: 3-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-2-yl]propyl carbamate Traditional Name: carbamic acid 3-[4-isopropyl-5-[(3-nitrophenyl)thio]-1-(2-pyridylmethyl)imidazol-2-yl]propyl ester Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=N1)CCCOC(=O)N)CC2=CC=CC=N2)SC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(N(C(=N1)CCCOC(=O)N)CC2=CC=CC=N2)SC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4S/c1-15(2)20-21(32-18-9-5-8-17(13-18)27(29)30)26(14-16-7-3-4-11-24-16)19(25-20)10-6-12-31-22(23)28/h3-5,7-9,11,13,15H,6,10,12,14H2,1-2H3,(H2,23,28)