N-[(E)-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(E)-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(E)-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(E)-[1-(3-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(E)-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(E)-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-(2-pyrimidylthio)acetamide Formula: C19H18ClN5OS MolecularWeight: 399.89712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)C=NNC(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)/C=N/NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H18ClN5OS/c1-13-9-15(14(2)25(13)17-6-3-5-16(20)10-17)11-23-24-18(26)12-27-19-21-7-4-8-22-19/h3-11H,12H2,1-2H3,(H,24,26)/b23-11+