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

Systemtic Name: 1-[3-(dimethylamino)propyl]-2-ethylsulfanyl-5-oxidanylidene-4,4-dipyridin-2-yl-pyrrole-3-carbonitrile Openeye Name: 1-[3-(dimethylamino)propyl]-2-ethylsulfanyl-5-oxo-4,4-bis(2-pyridyl)pyrrole-3-carbonitrile CAS Name: 1-[3-(dimethylamino)propyl]-2-(ethylthio)-5-oxo-4,4-bis(2-pyridinyl)-3-pyrrolecarbonitrile IUPAC Name: 1-[3-(dimethylamino)propyl]-2-ethylsulfanyl-5-oxo-4,4-dipyridin-2-ylpyrrole-3-carbonitrile Traditional Name: 1-[3-(dimethylamino)propyl]-2-(ethylthio)-5-keto-4,4-bis(2-pyridyl)-2-pyrroline-3-carbonitrile Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(C(=O)N1CCCN(C)C)(C2=CC=CC=N2)C3=CC=CC=N3)C#N

Isomeric SMILES

CCSC1=C(C(C(=O)N1CCCN(C)C)(C2=CC=CC=N2)C3=CC=CC=N3)C#N

InChI

InChI=1S/C22H25N5OS/c1-4-29-20-17(16-23)22(18-10-5-7-12-24-18,19-11-6-8-13-25-19)21(28)27(20)15-9-14-26(2)3/h5-8,10-13H,4,9,14-15H2,1-3H3