2-[3-(dimethylamino)propylsulfanyl]-5-oxidanylidene-4,4-dipyridin-2-yl-1H-pyrrole-3-carbonitrile

Systemtic Name: 2-[3-(dimethylamino)propylsulfanyl]-5-oxidanylidene-4,4-dipyridin-2-yl-1H-pyrrole-3-carbonitrile Openeye Name: 2-[3-(dimethylamino)propylsulfanyl]-5-oxo-4,4-bis(2-pyridyl)-1H-pyrrole-3-carbonitrile CAS Name: 2-[3-(dimethylamino)propylthio]-5-oxo-4,4-bis(2-pyridinyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 2-[3-(dimethylamino)propylsulfanyl]-5-oxo-4,4-dipyridin-2-yl-1H-pyrrole-3-carbonitrile Traditional Name: 2-[3-(dimethylamino)propylthio]-5-keto-4,4-bis(2-pyridyl)-2-pyrroline-3-carbonitrile Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCSC1=C(C(C(=O)N1)(C2=CC=CC=N2)C3=CC=CC=N3)C#N

Isomeric SMILES

CN(C)CCCSC1=C(C(C(=O)N1)(C2=CC=CC=N2)C3=CC=CC=N3)C#N

InChI

InChI=1S/C20H21N5OS/c1-25(2)12-7-13-27-18-15(14-21)20(19(26)24-18,16-8-3-5-10-22-16)17-9-4-6-11-23-17/h3-6,8-11H,7,12-13H2,1-2H3,(H,24,26)