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

Systemtic Name: 2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-4,6-diphenyl-pyrimidine Openeye Name: 2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-4,6-diphenyl-pyrimidine CAS Name: 2-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]-4,6-diphenylpyrimidine IUPAC Name: 2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-4,6-diphenylpyrimidine Traditional Name: 2-[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]-4,6-diphenyl-pyrimidine Formula: C25H19N5S MolecularWeight: 421.51686

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2=CC=CC=C2)C3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CSC1=NN=C(N1C2=CC=CC=C2)C3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H19N5S/c1-31-25-29-28-24(30(25)20-15-9-4-10-16-20)23-26-21(18-11-5-2-6-12-18)17-22(27-23)19-13-7-3-8-14-19/h2-17H,1H3