2-(2-dimethylaminoethylsulfanyl)-4-(4-dimethylaminophenyl)-5-oxidanylidene-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile

Systemtic Name: 2-(2-dimethylaminoethylsulfanyl)-4-(4-dimethylaminophenyl)-5-oxidanylidene-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Openeye Name: 2-(2-dimethylaminoethylsulfanyl)-4-(4-dimethylaminophenyl)-5-oxo-4-(3-pyridyl)-1H-pyrrole-3-carbonitrile CAS Name: 2-(2-dimethylaminoethylthio)-4-(4-dimethylaminophenyl)-5-oxo-4-(3-pyridinyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 2-(2-dimethylaminoethylsulfanyl)-4-(4-dimethylaminophenyl)-5-oxo-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Traditional Name: 2-(2-dimethylaminoethylthio)-4-(4-dimethylaminophenyl)-5-keto-4-(3-pyridyl)-2-pyrroline-3-carbonitrile Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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