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

Systemtic Name: N-[(E)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(E)-[2,5-dimethyl-1-(m-tolyl)pyrrol-3-yl]methyleneamino]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(E)-[2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolyl]methylideneamino]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(E)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(E)-[2,5-dimethyl-1-(m-tolyl)pyrrol-3-yl]methyleneamino]-2-(2-pyrimidylthio)acetamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS/c1-14-6-4-7-18(10-14)25-15(2)11-17(16(25)3)12-23-24-19(26)13-27-20-21-8-5-9-22-20/h4-12H,13H2,1-3H3,(H,24,26)/b23-12+