2-(2-diethylaminoethylsulfanyl)-5-oxidanylidene-4,4-dipyridin-2-yl-1H-pyrrole-3-carbonitrile

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-5-oxidanylidene-4,4-dipyridin-2-yl-1H-pyrrole-3-carbonitrile Openeye Name: 2-(2-diethylaminoethylsulfanyl)-5-oxo-4,4-bis(2-pyridyl)-1H-pyrrole-3-carbonitrile CAS Name: 2-(2-diethylaminoethylthio)-5-oxo-4,4-bis(2-pyridinyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 2-(2-diethylaminoethylsulfanyl)-5-oxo-4,4-dipyridin-2-yl-1H-pyrrole-3-carbonitrile Traditional Name: 2-(2-diethylaminoethylthio)-5-keto-4,4-bis(2-pyridyl)-2-pyrroline-3-carbonitrile Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=C(C(C(=O)N1)(C2=CC=CC=N2)C3=CC=CC=N3)C#N

Isomeric SMILES

CCN(CC)CCSC1=C(C(C(=O)N1)(C2=CC=CC=N2)C3=CC=CC=N3)C#N

InChI

InChI=1S/C21H23N5OS/c1-3-26(4-2)13-14-28-19-16(15-22)21(20(27)25-19,17-9-5-7-11-23-17)18-10-6-8-12-24-18/h5-12H,3-4,13-14H2,1-2H3,(H,25,27)