(diphenylmethyl) hydrogen carbonate; 1H-pyrimidine-2-thione

Systemtic Name: (diphenylmethyl) hydrogen carbonate; 1H-pyrimidine-2-thione Openeye Name: benzhydryl hydrogen carbonate; 1H-pyrimidine-2-thione CAS Name: carbonic acid (diphenylmethyl) ester; 1H-pyrimidine-2-thione IUPAC Name: benzhydryl hydrogen carbonate; 1H-pyrimidine-2-thione Traditional Name: carbonic acid benzhydryl ester; 1H-pyrimidine-2-thione Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)O.C1=CNC(=S)N=C1

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)O.C1=CNC(=S)N=C1

InChI

InChI=1S/C14H12O3.C4H4N2S/c15-14(16)17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-4-5-2-1-3-6-4/h1-10,13H,(H,15,16);1-3H,(H,5,6,7)