2-chloranyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-methylsulfanyl-benzamide

Systemtic Name: 2-chloranyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-methylsulfanyl-benzamide Openeye Name: 2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-methylsulfanyl-benzamide CAS Name: 2-chloro-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-5-(methylthio)benzamide IUPAC Name: 2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-methylsulfanylbenzamide Traditional Name: 2-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-5-(methylthio)benzamide Formula: C20H18ClN3OS2 MolecularWeight: 415.95942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)SC)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)SC)Cl)C

InChI

InChI=1S/C20H18ClN3OS2/c1-12-10-13(2)23-20(22-12)27-15-6-4-14(5-7-15)24-19(25)17-11-16(26-3)8-9-18(17)21/h4-11H,1-3H3,(H,24,25)