1-(3-bromanylpropyl)-2-ethylsulfanyl-5-oxidanylidene-4,4-diphenyl-pyrrole-3-carbonitrile

Systemtic Name: 1-(3-bromanylpropyl)-2-ethylsulfanyl-5-oxidanylidene-4,4-diphenyl-pyrrole-3-carbonitrile Openeye Name: 1-(3-bromopropyl)-2-ethylsulfanyl-5-oxo-4,4-diphenyl-pyrrole-3-carbonitrile CAS Name: 1-(3-bromopropyl)-2-(ethylthio)-5-oxo-4,4-diphenyl-3-pyrrolecarbonitrile IUPAC Name: 1-(3-bromopropyl)-2-ethylsulfanyl-5-oxo-4,4-diphenylpyrrole-3-carbonitrile Traditional Name: 1-(3-bromopropyl)-2-(ethylthio)-5-keto-4,4-diphenyl-2-pyrroline-3-carbonitrile Formula: C22H21BrN2OS MolecularWeight: 441.38394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(C(=O)N1CCCBr)(C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCSC1=C(C(C(=O)N1CCCBr)(C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H21BrN2OS/c1-2-27-20-19(16-24)22(17-10-5-3-6-11-17,18-12-7-4-8-13-18)21(26)25(20)15-9-14-23/h3-8,10-13H,2,9,14-15H2,1H3