4-[[5-[[[3-(phenylsulfanylmethyl)cyclohept-2-en-1-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[[3-(phenylsulfanylmethyl)cyclohept-2-en-1-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[[3-(phenylsulfanylmethyl)cyclohept-2-en-1-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[[3-[(phenylthio)methyl]-1-cyclohept-2-enyl]amino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[[3-(phenylsulfanylmethyl)cyclohept-2-en-1-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[[3-[(phenylthio)methyl]cyclohept-2-en-1-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C26H28N4S MolecularWeight: 428.59232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC(C1)NCC2=CN=CN2CC3=CC=C(C=C3)C#N)CSC4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC(C1)NCC2=CN=CN2CC3=CC=C(C=C3)C#N)CSC4=CC=CC=C4

InChI

InChI=1S/C26H28N4S/c27-15-21-10-12-22(13-11-21)18-30-20-28-16-25(30)17-29-24-7-5-4-6-23(14-24)19-31-26-8-2-1-3-9-26/h1-3,8-14,16,20,24,29H,4-7,17-19H2