2-[[1-(1-adamantyl)-4-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-3-methyl-quinoxaline

Systemtic Name: 2-[[1-(1-adamantyl)-4-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-3-methyl-quinoxaline Openeye Name: 2-[[1-(1-adamantyl)-4-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-3-methyl-quinoxaline CAS Name: 2-[[[1-(1-adamantyl)-4-(4-chlorophenyl)-2-imidazolyl]thio]methyl]-3-methylquinoxaline IUPAC Name: 2-[[1-(1-adamantyl)-4-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-3-methylquinoxaline Traditional Name: 2-[[[1-(1-adamantyl)-4-(4-chlorophenyl)imidazol-2-yl]thio]methyl]-3-methyl-quinoxaline Formula: C29H29ClN4S MolecularWeight: 501.08536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NC(=CN3C45CC6CC(C4)CC(C6)C5)C7=CC=C(C=C7)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NC(=CN3C45CC6CC(C4)CC(C6)C5)C7=CC=C(C=C7)Cl

InChI

InChI=1S/C29H29ClN4S/c1-18-27(32-25-5-3-2-4-24(25)31-18)17-35-28-33-26(22-6-8-23(30)9-7-22)16-34(28)29-13-19-10-20(14-29)12-21(11-19)15-29/h2-9,16,19-21H,10-15,17H2,1H3