[4-(4-thiophen-2-ylpyrimidin-2-yl)phenyl] 4-chloranylbenzoate

Systemtic Name: [4-(4-thiophen-2-ylpyrimidin-2-yl)phenyl] 4-chloranylbenzoate Openeye Name: [4-[4-(2-thienyl)pyrimidin-2-yl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-(4-thiophen-2-yl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(4-thiophen-2-ylpyrimidin-2-yl)phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[4-(2-thienyl)pyrimidin-2-yl]phenyl] ester Formula: C21H13ClN2O2S MolecularWeight: 392.85812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CSC(=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H13ClN2O2S/c22-16-7-3-15(4-8-16)21(25)26-17-9-5-14(6-10-17)20-23-12-11-18(24-20)19-2-1-13-27-19/h1-13H