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

Systemtic Name: 4-(4-dimethylaminophenyl)-2-[3-(dimethylamino)propylsulfanyl]-5-oxidanylidene-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Openeye Name: 4-(4-dimethylaminophenyl)-2-[3-(dimethylamino)propylsulfanyl]-5-oxo-4-(3-pyridyl)-1H-pyrrole-3-carbonitrile CAS Name: 4-(4-dimethylaminophenyl)-2-[3-(dimethylamino)propylthio]-5-oxo-4-(3-pyridinyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 4-(4-dimethylaminophenyl)-2-[3-(dimethylamino)propylsulfanyl]-5-oxo-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Traditional Name: 4-(4-dimethylaminophenyl)-2-[3-(dimethylamino)propylthio]-5-keto-4-(3-pyridyl)-2-pyrroline-3-carbonitrile Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5OS/c1-27(2)13-6-14-30-21-20(15-24)23(22(29)26-21,18-7-5-12-25-16-18)17-8-10-19(11-9-17)28(3)4/h5,7-12,16H,6,13-14H2,1-4H3,(H,26,29)