4-[(2-sulfanylidene-1H-imidazol-3-yl)-[[4-(trifluoromethyl)phenyl]methyl]amino]benzenecarbonitrile

Systemtic Name: 4-[(2-sulfanylidene-1H-imidazol-3-yl)-[[4-(trifluoromethyl)phenyl]methyl]amino]benzenecarbonitrile Openeye Name: 4-[(2-thioxo-1H-imidazol-3-yl)-[[4-(trifluoromethyl)phenyl]methyl]amino]benzonitrile CAS Name: 4-[(2-sulfanylidene-1H-imidazol-3-yl)-[[4-(trifluoromethyl)phenyl]methyl]amino]benzonitrile IUPAC Name: 4-[(2-sulfanylidene-1H-imidazol-3-yl)-[[4-(trifluoromethyl)phenyl]methyl]amino]benzonitrile Traditional Name: 4-[(2-thioxo-4-imidazolin-1-yl)-[4-(trifluoromethyl)benzyl]amino]benzonitrile Formula: C18H13F3N4S MolecularWeight: 374.38283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)N3C=CNC3=S)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)N3C=CNC3=S)C(F)(F)F

InChI

InChI=1S/C18H13F3N4S/c19-18(20,21)15-5-1-14(2-6-15)12-25(24-10-9-23-17(24)26)16-7-3-13(11-22)4-8-16/h1-10H,12H2,(H,23,26)