4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-N-(methylsulfanylmethyl)-2-phenyl-benzamide

Systemtic Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-N-(methylsulfanylmethyl)-2-phenyl-benzamide Openeye Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-N-(methylsulfanylmethyl)-2-phenyl-benzamide CAS Name: 4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]-N-[(methylthio)methyl]-2-phenylbenzamide IUPAC Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-N-(methylsulfanylmethyl)-2-phenylbenzamide Traditional Name: 4-[[3-(4-cyanobenzyl)imidazol-4-yl]methylamino]-N-[(methylthio)methyl]-2-phenyl-benzamide Formula: C27H25N5OS MolecularWeight: 467.5853

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Descriptors Computed from Structure

Canonical SMILES:

CSCNC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CSCNC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H25N5OS/c1-34-19-31-27(33)25-12-11-23(13-26(25)22-5-3-2-4-6-22)30-16-24-15-29-18-32(24)17-21-9-7-20(14-28)8-10-21/h2-13,15,18,30H,16-17,19H2,1H3,(H,31,33)