4-[(2S)-2-[butyl-(4-phenylsulfanylphenyl)amino]-2-(1H-imidazol-2-yl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[(2S)-2-[butyl-(4-phenylsulfanylphenyl)amino]-2-(1H-imidazol-2-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[(2S)-2-(N-butyl-4-phenylsulfanyl-anilino)-2-(1H-imidazol-2-yl)ethyl]benzonitrile CAS Name: 4-[(2S)-2-[N-butyl-4-(phenylthio)anilino]-2-(1H-imidazol-2-yl)ethyl]benzonitrile IUPAC Name: 4-[(2S)-2-(N-butyl-4-phenylsulfanylanilino)-2-(1H-imidazol-2-yl)ethyl]benzonitrile Traditional Name: 4-[(2S)-2-[N-butyl-4-(phenylthio)anilino]-2-(1H-imidazol-2-yl)ethyl]benzonitrile Formula: C28H28N4S MolecularWeight: 452.61372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)SC2=CC=CC=C2)C(CC3=CC=C(C=C3)C#N)C4=NC=CN4

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)SC2=CC=CC=C2)[C@@H](CC3=CC=C(C=C3)C#N)C4=NC=CN4

InChI

InChI=1S/C28H28N4S/c1-2-3-19-32(24-13-15-26(16-14-24)33-25-7-5-4-6-8-25)27(28-30-17-18-31-28)20-22-9-11-23(21-29)12-10-22/h4-18,27H,2-3,19-20H2,1H3,(H,30,31)/t27-/m0/s1