4,4-bis(4-chlorophenyl)-2-(2-diethylaminoethylsulfanyl)-5-oxidanylidene-1H-pyrrole-3-carbonitrile

Systemtic Name: 4,4-bis(4-chlorophenyl)-2-(2-diethylaminoethylsulfanyl)-5-oxidanylidene-1H-pyrrole-3-carbonitrile Openeye Name: 4,4-bis(4-chlorophenyl)-2-(2-diethylaminoethylsulfanyl)-5-oxo-1H-pyrrole-3-carbonitrile CAS Name: 4,4-bis(4-chlorophenyl)-2-(2-diethylaminoethylthio)-5-oxo-1H-pyrrole-3-carbonitrile IUPAC Name: 4,4-bis(4-chlorophenyl)-2-(2-diethylaminoethylsulfanyl)-5-oxo-1H-pyrrole-3-carbonitrile Traditional Name: 4,4-bis(4-chlorophenyl)-2-(2-diethylaminoethylthio)-5-keto-2-pyrroline-3-carbonitrile Formula: C23H23Cl2N3OS MolecularWeight: 460.41922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23Cl2N3OS/c1-3-28(4-2)13-14-30-21-20(15-26)23(22(29)27-21,16-5-9-18(24)10-6-16)17-7-11-19(25)12-8-17/h5-12H,3-4,13-14H2,1-2H3,(H,27,29)