4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-[(E)-(3-methyl-1-cyclopent-2-enylidene)amino]benzamide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS/c1-13-4-9-18(10-13)23-24-19(25)17-7-5-16(6-8-17)12-26-20-21-14(2)11-15(3)22-20/h5-8,10-11H,4,9,12H2,1-3H3,(H,24,25)/b23-18+