2-[[4-ethyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[[4-ethyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[(5-cinnamylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[[4-ethyl-5-(3-phenylprop-2-enylthio)-1,2,4-triazol-3-yl]methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[[4-ethyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[[5-(cinnamylthio)-4-ethyl-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C20H23N5S2 MolecularWeight: 397.56012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC=CC2=CC=CC=C2)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCN1C(=NN=C1SCC=CC2=CC=CC=C2)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H23N5S2/c1-4-25-18(14-27-19-21-15(2)13-16(3)22-19)23-24-20(25)26-12-8-11-17-9-6-5-7-10-17/h5-11,13H,4,12,14H2,1-3H3