S-(4-phenylpyrimidin-2-yl) 4-chloranylbenzenecarbothioate

Systemtic Name: S-(4-phenylpyrimidin-2-yl) 4-chloranylbenzenecarbothioate Openeye Name: S-(4-phenylpyrimidin-2-yl) 4-chlorobenzenecarbothioate CAS Name: 4-chlorobenzenecarbothioic acid S-(4-phenyl-2-pyrimidinyl) ester IUPAC Name: S-(4-phenylpyrimidin-2-yl) 4-chlorobenzenecarbothioate Traditional Name: 4-chlorothiobenzoic acid S-(4-phenylpyrimidin-2-yl) ester Formula: C17H11ClN2OS MolecularWeight: 326.80004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC=C2)SC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC=C2)SC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H11ClN2OS/c18-14-8-6-13(7-9-14)16(21)22-17-19-11-10-15(20-17)12-4-2-1-3-5-12/h1-11H