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

Systemtic Name: 2-[3-(diethylamino)propylsulfanyl]-4-(4-dimethylaminophenyl)-5-oxidanylidene-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Openeye Name: 2-[3-(diethylamino)propylsulfanyl]-4-(4-dimethylaminophenyl)-5-oxo-4-(3-pyridyl)-1H-pyrrole-3-carbonitrile CAS Name: 2-[3-(diethylamino)propylthio]-4-(4-dimethylaminophenyl)-5-oxo-4-(3-pyridinyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 2-[3-(diethylamino)propylsulfanyl]-4-(4-dimethylaminophenyl)-5-oxo-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Traditional Name: 2-[3-(diethylamino)propylthio]-4-(4-dimethylaminophenyl)-5-keto-4-(3-pyridyl)-2-pyrroline-3-carbonitrile Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5OS/c1-5-30(6-2)15-8-16-32-23-22(17-26)25(24(31)28-23,20-9-7-14-27-18-20)19-10-12-21(13-11-19)29(3)4/h7,9-14,18H,5-6,8,15-16H2,1-4H3,(H,28,31)