2-(2-diethylaminoethylsulfanyl)-4-(3,4-dimethoxyphenyl)-5-oxidanylidene-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-4-(3,4-dimethoxyphenyl)-5-oxidanylidene-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Openeye Name: 2-(2-diethylaminoethylsulfanyl)-4-(3,4-dimethoxyphenyl)-5-oxo-4-(3-pyridyl)-1H-pyrrole-3-carbonitrile CAS Name: 2-(2-diethylaminoethylthio)-4-(3,4-dimethoxyphenyl)-5-oxo-4-(3-pyridinyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 2-(2-diethylaminoethylsulfanyl)-4-(3,4-dimethoxyphenyl)-5-oxo-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Traditional Name: 2-(2-diethylaminoethylthio)-4-(3,4-dimethoxyphenyl)-5-keto-4-(3-pyridyl)-2-pyrroline-3-carbonitrile Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3S/c1-5-28(6-2)12-13-32-22-19(15-25)24(23(29)27-22,18-8-7-11-26-16-18)17-9-10-20(30-3)21(14-17)31-4/h7-11,14,16H,5-6,12-13H2,1-4H3,(H,27,29)