benzene; 2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-4-methylsulfanyl-1H-imidazole

Systemtic Name: benzene; 2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-4-methylsulfanyl-1H-imidazole Openeye Name: benzene; 2-(4-methoxyphenyl)-4-methylsulfanyl-5-(p-tolylsulfonyl)-1H-imidazole CAS Name: benzene; 2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-4-(methylthio)-1H-imidazole IUPAC Name: benzene; 2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyl-4-methylsulfanyl-1H-imidazole Traditional Name: benzene; 2-(4-methoxyphenyl)-4-(methylthio)-5-tosyl-1H-imidazole Formula: C60H60N6O9S6 MolecularWeight: 1201.5432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(N2)C3=CC=C(C=C3)OC)SC.CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(N2)C3=CC=C(C=C3)OC)SC.CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(N2)C3=CC=C(C=C3)OC)SC.C1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(N2)C3=CC=C(C=C3)OC)SC.CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(N2)C3=CC=C(C=C3)OC)SC.CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(N2)C3=CC=C(C=C3)OC)SC.C1=CC=CC=C1

InChI

InChI=1S/3C18H18N2O3S2.C6H6/c3*1-12-4-10-15(11-5-12)25(21,22)18-17(24-3)19-16(20-18)13-6-8-14(23-2)9-7-13;1-2-4-6-5-3-1/h3*4-11H,1-3H3,(H,19,20);1-6H