4-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-6-phenyl-pyrimidine

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-6-phenyl-pyrimidine Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-6-phenyl-pyrimidine CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(methylthio)-6-phenylpyrimidine IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-6-phenylpyrimidine Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(methylthio)-6-phenyl-pyrimidine Formula: C18H14N2O2S MolecularWeight: 322.38096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C18H14N2O2S/c1-23-18-19-14(12-5-3-2-4-6-12)10-15(20-18)13-7-8-16-17(9-13)22-11-21-16/h2-10H,11H2,1H3