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

Systemtic Name: 2-(3-azanylpropylsulfanyl)-4-(4-dimethylaminophenyl)-5-oxidanylidene-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Openeye Name: 2-(3-aminopropylsulfanyl)-4-(4-dimethylaminophenyl)-5-oxo-4-(3-pyridyl)-1H-pyrrole-3-carbonitrile CAS Name: 2-(3-aminopropylthio)-4-(4-dimethylaminophenyl)-5-oxo-4-(3-pyridinyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 2-(3-aminopropylsulfanyl)-4-(4-dimethylaminophenyl)-5-oxo-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Traditional Name: 2-(3-aminopropylthio)-4-(4-dimethylaminophenyl)-5-keto-4-(3-pyridyl)-2-pyrroline-3-carbonitrile Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2(C(=C(NC2=O)SCCCN)C#N)C3=CN=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2(C(=C(NC2=O)SCCCN)C#N)C3=CN=CC=C3

InChI

InChI=1S/C21H23N5OS/c1-26(2)17-8-6-15(7-9-17)21(16-5-3-11-24-14-16)18(13-23)19(25-20(21)27)28-12-4-10-22/h3,5-9,11,14H,4,10,12,22H2,1-2H3,(H,25,27)