2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]pyrimidine

Systemtic Name: 2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]pyrimidine Openeye Name: 2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]pyrimidine CAS Name: 2-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylthio]pyrimidine IUPAC Name: 2-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]pyrimidine Traditional Name: 2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylthio]pyrimidine Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CSC3=NC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CSC3=NC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4OS/c1-26-19-10-8-16(9-11-19)20-17(15-27-21-22-12-5-13-23-21)14-25(24-20)18-6-3-2-4-7-18/h2-14H,15H2,1H3