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

Systemtic Name: [5-(3-nitrophenyl)sulfanyl-1-(phenylmethyl)-4-propan-2-yl-imidazol-2-yl]methyl carbamate Openeye Name: [1-benzyl-4-isopropyl-5-(3-nitrophenyl)sulfanyl-imidazol-2-yl]methyl carbamate CAS Name: carbamic acid [5-[(3-nitrophenyl)thio]-1-(phenylmethyl)-4-propan-2-yl-2-imidazolyl]methyl ester IUPAC Name: [1-benzyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methyl carbamate Traditional Name: carbamic acid [1-benzyl-4-isopropyl-5-[(3-nitrophenyl)thio]imidazol-2-yl]methyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c1-14(2)19-20(30-17-10-6-9-16(11-17)25(27)28)24(12-15-7-4-3-5-8-15)18(23-19)13-29-21(22)26/h3-11,14H,12-13H2,1-2H3,(H2,22,26)