2-(2-diethylaminoethylsulfanyl)-4-(4-fluorophenyl)-5-oxidanylidene-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile hydrochloride

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-4-(4-fluorophenyl)-5-oxidanylidene-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile hydrochloride Openeye Name: 2-(2-diethylaminoethylsulfanyl)-4-(4-fluorophenyl)-5-oxo-4-(3-pyridyl)-1H-pyrrole-3-carbonitrile hydrochloride CAS Name: 2-(2-diethylaminoethylthio)-4-(4-fluorophenyl)-5-oxo-4-(3-pyridinyl)-1H-pyrrole-3-carbonitrile hydrochloride IUPAC Name: 2-(2-diethylaminoethylsulfanyl)-4-(4-fluorophenyl)-5-oxo-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile hydrochloride Traditional Name: 2-(2-diethylaminoethylthio)-4-(4-fluorophenyl)-5-keto-4-(3-pyridyl)-2-pyrroline-3-carbonitrile hydrochloride Formula: C22H24ClFN4OS MolecularWeight: 446.968563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN4OS.ClH/c1-3-27(4-2)12-13-29-20-19(14-24)22(21(28)26-20,17-6-5-11-25-15-17)16-7-9-18(23)10-8-16;/h5-11,15H,3-4,12-13H2,1-2H3,(H,26,28);1H