2-isothiocyanato-4-[3-isothiocyanato-4-(3-methylphenoxy)phenyl]sulfonyl-1-(3-methylphenoxy)benzene

Systemtic Name: 2-isothiocyanato-4-[3-isothiocyanato-4-(3-methylphenoxy)phenyl]sulfonyl-1-(3-methylphenoxy)benzene Openeye Name: 2-isothiocyanato-4-[3-isothiocyanato-4-(3-methylphenoxy)phenyl]sulfonyl-1-(3-methylphenoxy)benzene CAS Name: 2-isothiocyanato-4-[3-isothiocyanato-4-(3-methylphenoxy)phenyl]sulfonyl-1-(3-methylphenoxy)benzene IUPAC Name: 2-isothiocyanato-4-[3-isothiocyanato-4-(3-methylphenoxy)phenyl]sulfonyl-1-(3-methylphenoxy)benzene Traditional Name: 2-isothiocyanato-4-[3-isothiocyanato-4-(3-methylphenoxy)phenyl]sulfonyl-1-(3-methylphenoxy)benzene Formula: C28H20N2O4S3 MolecularWeight: 544.6644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)OC4=CC=CC(=C4)C)N=C=S)N=C=S

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)OC4=CC=CC(=C4)C)N=C=S)N=C=S

InChI

InChI=1S/C28H20N2O4S3/c1-19-5-3-7-21(13-19)33-27-11-9-23(15-25(27)29-17-35)37(31,32)24-10-12-28(26(16-24)30-18-36)34-22-8-4-6-20(2)14-22/h3-16H,1-2H3