N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-ethylsulfanyl-benzamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-ethylsulfanyl-benzamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-ethylsulfanyl-benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-4-(ethylthio)benzamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-ethylsulfanylbenzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-4-(ethylthio)benzamide Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCSC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H21N3OS2/c1-4-26-18-9-5-16(6-10-18)20(25)24-17-7-11-19(12-8-17)27-21-22-14(2)13-15(3)23-21/h5-13H,4H2,1-3H3,(H,24,25)