2-(4-isocyanatophenyl)-1-[2-(4-isocyanatophenyl)-4-isothiocyanato-phenyl]sulfanyl-4-isothiocyanato-benzene

Systemtic Name: 2-(4-isocyanatophenyl)-1-[2-(4-isocyanatophenyl)-4-isothiocyanato-phenyl]sulfanyl-4-isothiocyanato-benzene Openeye Name: 2-(4-isocyanatophenyl)-1-[2-(4-isocyanatophenyl)-4-isothiocyanato-phenyl]sulfanyl-4-isothiocyanato-benzene CAS Name: 2-(4-isocyanatophenyl)-1-[[2-(4-isocyanatophenyl)-4-isothiocyanatophenyl]thio]-4-isothiocyanatobenzene IUPAC Name: 2-(4-isocyanatophenyl)-1-[2-(4-isocyanatophenyl)-4-isothiocyanatophenyl]sulfanyl-4-isothiocyanatobenzene Traditional Name: 2-(4-isocyanatophenyl)-1-[[2-(4-isocyanatophenyl)-4-isothiocyanato-phenyl]thio]-4-isothiocyanato-benzene Formula: C28H14N4O2S3 MolecularWeight: 534.63136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=CC(=C2)N=C=S)SC3=C(C=C(C=C3)N=C=S)C4=CC=C(C=C4)N=C=O)N=C=O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=CC(=C2)N=C=S)SC3=C(C=C(C=C3)N=C=S)C4=CC=C(C=C4)N=C=O)N=C=O

InChI

InChI=1S/C28H14N4O2S3/c33-15-29-21-5-1-19(2-6-21)25-13-23(31-17-35)9-11-27(25)37-28-12-10-24(32-18-36)14-26(28)20-3-7-22(8-4-20)30-16-34/h1-14H