4-phenylsulfanyl-6-(phenylsulfonylmethyl)-2-pyridin-3-yl-pyrimidine

Systemtic Name: 4-phenylsulfanyl-6-(phenylsulfonylmethyl)-2-pyridin-3-yl-pyrimidine Openeye Name: 4-(benzenesulfonylmethyl)-6-phenylsulfanyl-2-(3-pyridyl)pyrimidine CAS Name: 4-(benzenesulfonylmethyl)-6-(phenylthio)-2-(3-pyridinyl)pyrimidine IUPAC Name: 4-(benzenesulfonylmethyl)-6-phenylsulfanyl-2-pyridin-3-ylpyrimidine Traditional Name: 4-(besylmethyl)-6-(phenylthio)-2-(3-pyridyl)pyrimidine Formula: C22H17N3O2S2 MolecularWeight: 419.51928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC(=NC(=C2)CS(=O)(=O)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC(=NC(=C2)CS(=O)(=O)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H17N3O2S2/c26-29(27,20-11-5-2-6-12-20)16-18-14-21(28-19-9-3-1-4-10-19)25-22(24-18)17-8-7-13-23-15-17/h1-15H,16H2