1-(1-adamantyl)-4-(4-chlorophenyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]imidazole

Systemtic Name: 1-(1-adamantyl)-4-(4-chlorophenyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]imidazole Openeye Name: 1-(1-adamantyl)-4-(4-chlorophenyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]imidazole CAS Name: 1-(1-adamantyl)-4-(4-chlorophenyl)-2-[(4-methoxy-3-nitrophenyl)methylthio]imidazole IUPAC Name: 1-(1-adamantyl)-4-(4-chlorophenyl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]imidazole Traditional Name: 1-(1-adamantyl)-4-(4-chlorophenyl)-2-[(4-methoxy-3-nitro-benzyl)thio]imidazole Formula: C27H28ClN3O3S MolecularWeight: 510.04752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC(=CN2C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC(=CN2C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H28ClN3O3S/c1-34-25-7-2-17(11-24(25)31(32)33)16-35-26-29-23(21-3-5-22(28)6-4-21)15-30(26)27-12-18-8-19(13-27)10-20(9-18)14-27/h2-7,11,15,18-20H,8-10,12-14,16H2,1H3