4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-2-ethylsulfanyl-5-oxidanylidene-1H-pyrrole-3-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-2-ethylsulfanyl-5-oxidanylidene-1H-pyrrole-3-carbonitrile Openeye Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-2-ethylsulfanyl-5-oxo-1H-pyrrole-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-2-(ethylthio)-5-oxo-1H-pyrrole-3-carbonitrile IUPAC Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-2-ethylsulfanyl-5-oxo-1H-pyrrole-3-carbonitrile Traditional Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-2-(ethylthio)-5-keto-2-pyrroline-3-carbonitrile Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3OS/c1-4-27-19-18(13-23)21(20(26)24-19,14-5-9-16(22)10-6-14)15-7-11-17(12-8-15)25(2)3/h5-12H,4H2,1-3H3,(H,24,26)