4-(2,3-dihydro-1-benzofuran-5-yl)-2-(phenylmethylsulfanyl)pyrimidine

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-5-yl)-2-(phenylmethylsulfanyl)pyrimidine Openeye Name: 2-benzylsulfanyl-4-(2,3-dihydrobenzofuran-5-yl)pyrimidine CAS Name: 4-(2,3-dihydrobenzofuran-5-yl)-2-(phenylmethylthio)pyrimidine IUPAC Name: 2-benzylsulfanyl-4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine Traditional Name: 2-(benzylthio)-4-coumaran-5-yl-pyrimidine Formula: C19H16N2OS MolecularWeight: 320.40814

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C3=NC(=NC=C3)SCC4=CC=CC=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C3=NC(=NC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C19H16N2OS/c1-2-4-14(5-3-1)13-23-19-20-10-8-17(21-19)15-6-7-18-16(12-15)9-11-22-18/h1-8,10,12H,9,11,13H2