4-[[5-[[butyl-(4-phenylsulfanylphenyl)amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[[5-[[butyl-(4-phenylsulfanylphenyl)amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile hydrochloride Openeye Name: 4-[[5-[(N-butyl-4-phenylsulfanyl-anilino)methyl]imidazol-1-yl]methyl]benzonitrile hydrochloride CAS Name: 4-[[5-[[N-butyl-4-(phenylthio)anilino]methyl]-1-imidazolyl]methyl]benzonitrile hydrochloride IUPAC Name: 4-[[5-[(N-butyl-4-phenylsulfanylanilino)methyl]imidazol-1-yl]methyl]benzonitrile hydrochloride Traditional Name: 4-[[5-[[N-butyl-4-(phenylthio)anilino]methyl]imidazol-1-yl]methyl]benzonitrile hydrochloride Formula: C28H29ClN4S MolecularWeight: 489.07466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CN=CN1CC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)SC4=CC=CC=C4.Cl

Isomeric SMILES

CCCCN(CC1=CN=CN1CC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)SC4=CC=CC=C4.Cl

InChI

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