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

Systemtic Name: 2-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]ethyl carbamate Openeye Name: 2-[4-isopropyl-5-(3-nitrophenyl)sulfanyl-1-(4-pyridylmethyl)imidazol-2-yl]ethyl carbamate CAS Name: carbamic acid 2-[5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-(pyridin-4-ylmethyl)-2-imidazolyl]ethyl ester IUPAC Name: 2-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]ethyl carbamate Traditional Name: carbamic acid 2-[4-isopropyl-5-[(3-nitrophenyl)thio]-1-(4-pyridylmethyl)imidazol-2-yl]ethyl ester Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4S/c1-14(2)19-20(31-17-5-3-4-16(12-17)26(28)29)25(13-15-6-9-23-10-7-15)18(24-19)8-11-30-21(22)27/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H2,22,27)