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

Systemtic Name: 3-chloranyl-4,5-bis[(4-methoxyphenyl)sulfanyl]-6-[(phenylmethyl)amino]benzene-1,2-dicarbonitrile Openeye Name: 3-(benzylamino)-6-chloro-4,5-bis[(4-methoxyphenyl)sulfanyl]phthalonitrile CAS Name: 3-chloro-4,5-bis[(4-methoxyphenyl)thio]-6-[(phenylmethyl)amino]benzene-1,2-dicarbonitrile IUPAC Name: 3-(benzylamino)-6-chloro-4,5-bis[(4-methoxyphenyl)sulfanyl]benzene-1,2-dicarbonitrile Traditional Name: 3-(benzylamino)-6-chloro-4,5-bis[(4-methoxyphenyl)thio]phthalonitrile Formula: C29H22ClN3O2S2 MolecularWeight: 544.08688

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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)NCC4=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)NCC4=CC=CC=C4

InChI

InChI=1S/C29H22ClN3O2S2/c1-34-20-8-12-22(13-9-20)36-28-26(30)24(16-31)25(17-32)27(33-18-19-6-4-3-5-7-19)29(28)37-23-14-10-21(35-2)11-15-23/h3-15,33H,18H2,1-2H3