3-chloranyl-4,5-bis[(4-methoxyphenyl)sulfanyl]-6-phenoxy-benzene-1,2-dicarbonitrile

Systemtic Name: 3-chloranyl-4,5-bis[(4-methoxyphenyl)sulfanyl]-6-phenoxy-benzene-1,2-dicarbonitrile Openeye Name: 3-chloro-4,5-bis[(4-methoxyphenyl)sulfanyl]-6-phenoxy-phthalonitrile CAS Name: 3-chloro-4,5-bis[(4-methoxyphenyl)thio]-6-phenoxybenzene-1,2-dicarbonitrile IUPAC Name: 3-chloro-4,5-bis[(4-methoxyphenyl)sulfanyl]-6-phenoxybenzene-1,2-dicarbonitrile Traditional Name: 3-chloro-4,5-bis[(4-methoxyphenyl)thio]-6-phenoxy-phthalonitrile Formula: C28H19ClN2O3S2 MolecularWeight: 531.04506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(C(=C(C(=C2SC3=CC=C(C=C3)OC)Cl)C#N)C#N)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(C(=C(C(=C2SC3=CC=C(C=C3)OC)Cl)C#N)C#N)OC4=CC=CC=C4

InChI

InChI=1S/C28H19ClN2O3S2/c1-32-18-8-12-21(13-9-18)35-27-25(29)23(16-30)24(17-31)26(34-20-6-4-3-5-7-20)28(27)36-22-14-10-19(33-2)11-15-22/h3-15H,1-2H3