5-(2-cyanoethylsulfanyl)-2,4-bis[phenyl(propan-2-yl)amino]benzenecarbonitrile

Systemtic Name: 5-(2-cyanoethylsulfanyl)-2,4-bis[phenyl(propan-2-yl)amino]benzenecarbonitrile Openeye Name: 5-(2-cyanoethylsulfanyl)-2,4-bis(N-isopropylanilino)benzonitrile CAS Name: 5-(2-cyanoethylthio)-2,4-bis(N-propan-2-ylanilino)benzonitrile IUPAC Name: 5-(2-cyanoethylsulfanyl)-2,4-bis(N-propan-2-ylanilino)benzonitrile Traditional Name: 5-(2-cyanoethylthio)-2,4-bis(N-isopropylanilino)benzonitrile Formula: C28H30N4S MolecularWeight: 454.6296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C2=CC(=C(C=C2C#N)SCCC#N)N(C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C2=CC(=C(C=C2C#N)SCCC#N)N(C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C28H30N4S/c1-21(2)31(24-12-7-5-8-13-24)26-19-27(28(18-23(26)20-30)33-17-11-16-29)32(22(3)4)25-14-9-6-10-15-25/h5-10,12-15,18-19,21-22H,11,17H2,1-4H3