N-tert-butyl-3-(5-chloranylpyrimidin-2-yl)sulfanyl-benzamide

Systemtic Name: N-tert-butyl-3-(5-chloranylpyrimidin-2-yl)sulfanyl-benzamide Openeye Name: N-tert-butyl-3-(5-chloropyrimidin-2-yl)sulfanyl-benzamide CAS Name: N-tert-butyl-3-[(5-chloro-2-pyrimidinyl)thio]benzamide IUPAC Name: N-tert-butyl-3-(5-chloropyrimidin-2-yl)sulfanylbenzamide Traditional Name: N-tert-butyl-3-[(5-chloropyrimidin-2-yl)thio]benzamide Formula: C15H16ClN3OS MolecularWeight: 321.82504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC(=CC=C1)SC2=NC=C(C=N2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC(=CC=C1)SC2=NC=C(C=N2)Cl

InChI

InChI=1S/C15H16ClN3OS/c1-15(2,3)19-13(20)10-5-4-6-12(7-10)21-14-17-8-11(16)9-18-14/h4-9H,1-3H3,(H,19,20)