S-(4-methyl-6-phenyl-pyrimidin-2-yl) 4-chloranylbenzenecarbothioate

Systemtic Name: S-(4-methyl-6-phenyl-pyrimidin-2-yl) 4-chloranylbenzenecarbothioate Openeye Name: S-(4-methyl-6-phenyl-pyrimidin-2-yl) 4-chlorobenzenecarbothioate CAS Name: 4-chlorobenzenecarbothioic acid S-(4-methyl-6-phenyl-2-pyrimidinyl) ester IUPAC Name: S-(4-methyl-6-phenylpyrimidin-2-yl) 4-chlorobenzenecarbothioate Traditional Name: 4-chlorothiobenzoic acid S-(4-methyl-6-phenyl-pyrimidin-2-yl) ester Formula: C18H13ClN2OS MolecularWeight: 340.82662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H13ClN2OS/c1-12-11-16(13-5-3-2-4-6-13)21-18(20-12)23-17(22)14-7-9-15(19)10-8-14/h2-11H,1H3