3-[3-(4-bromophenyl)-4-[(Z)-(5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(4-bromophenyl)-4-[(Z)-(5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(4-bromophenyl)-4-[(Z)-(5-oxo-1-phenyl-2-thioxo-imidazolidin-4-ylidene)methyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(4-bromophenyl)-4-[(Z)-(5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinylidene)methyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(4-bromophenyl)-4-[(Z)-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(4-bromophenyl)-4-[(Z)-(5-keto-1-phenyl-2-thioxo-imidazolidin-4-ylidene)methyl]pyrazol-1-yl]propionitrile Formula: C22H16BrN5OS MolecularWeight: 478.36434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)Br)CCC#N)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CN(N=C3C4=CC=C(C=C4)Br)CCC#N)/NC2=S

InChI

InChI=1S/C22H16BrN5OS/c23-17-9-7-15(8-10-17)20-16(14-27(26-20)12-4-11-24)13-19-21(29)28(22(30)25-19)18-5-2-1-3-6-18/h1-3,5-10,13-14H,4,12H2,(H,25,30)/b19-13-