2-(2-diethylaminoethylsulfanyl)-4-(4-fluorophenyl)-5-oxidanylidene-4-phenyl-1H-pyrrole-3-carbonitrile

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-4-(4-fluorophenyl)-5-oxidanylidene-4-phenyl-1H-pyrrole-3-carbonitrile Openeye Name: 2-(2-diethylaminoethylsulfanyl)-4-(4-fluorophenyl)-5-oxo-4-phenyl-1H-pyrrole-3-carbonitrile CAS Name: 2-(2-diethylaminoethylthio)-4-(4-fluorophenyl)-5-oxo-4-phenyl-1H-pyrrole-3-carbonitrile IUPAC Name: 2-(2-diethylaminoethylsulfanyl)-4-(4-fluorophenyl)-5-oxo-4-phenyl-1H-pyrrole-3-carbonitrile Traditional Name: 2-(2-diethylaminoethylthio)-4-(4-fluorophenyl)-5-keto-4-phenyl-2-pyrroline-3-carbonitrile Formula: C23H24FN3OS MolecularWeight: 409.519563

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=C(C(C(=O)N1)(C2=CC=CC=C2)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

CCN(CC)CCSC1=C(C(C(=O)N1)(C2=CC=CC=C2)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C23H24FN3OS/c1-3-27(4-2)14-15-29-21-20(16-25)23(22(28)26-21,17-8-6-5-7-9-17)18-10-12-19(24)13-11-18/h5-13H,3-4,14-15H2,1-2H3,(H,26,28)