4-(4-dimethylaminophenyl)-2-[1-[di(propan-2-yl)amino]ethylsulfanyl]-5-oxidanylidene-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile

Systemtic Name: 4-(4-dimethylaminophenyl)-2-[1-[di(propan-2-yl)amino]ethylsulfanyl]-5-oxidanylidene-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Openeye Name: 2-[1-(diisopropylamino)ethylsulfanyl]-4-(4-dimethylaminophenyl)-5-oxo-4-(3-pyridyl)-1H-pyrrole-3-carbonitrile CAS Name: 4-(4-dimethylaminophenyl)-2-[1-[di(propan-2-yl)amino]ethylthio]-5-oxo-4-(3-pyridinyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 4-(4-dimethylaminophenyl)-2-[1-[di(propan-2-yl)amino]ethylsulfanyl]-5-oxo-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Traditional Name: 2-[1-(diisopropylamino)ethylthio]-4-(4-dimethylaminophenyl)-5-keto-4-(3-pyridyl)-2-pyrroline-3-carbonitrile Formula: C26H33N5OS MolecularWeight: 463.63812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(C)SC1=C(C(C(=O)N1)(C2=CC=C(C=C2)N(C)C)C3=CN=CC=C3)C#N

Isomeric SMILES

CC(C)N(C(C)C)C(C)SC1=C(C(C(=O)N1)(C2=CC=C(C=C2)N(C)C)C3=CN=CC=C3)C#N

InChI

InChI=1S/C26H33N5OS/c1-17(2)31(18(3)4)19(5)33-24-23(15-27)26(25(32)29-24,21-9-8-14-28-16-21)20-10-12-22(13-11-20)30(6)7/h8-14,16-19H,1-7H3,(H,29,32)