N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(E)-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-(2-pyrimidylthio)acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)CSC3=NC=CC=N3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=C2C)/C=N/NC(=O)CSC3=NC=CC=N3)C)C

InChI

InChI=1S/C21H23N5OS/c1-14-6-7-19(15(2)10-14)26-16(3)11-18(17(26)4)12-24-25-20(27)13-28-21-22-8-5-9-23-21/h5-12H,13H2,1-4H3,(H,25,27)/b24-12+