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

Systemtic Name: 4,6-dimethyl-2-[[4-phenyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Openeye Name: 2-[(5-cinnamylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 4,6-dimethyl-2-[[4-phenyl-5-(3-phenylprop-2-enylthio)-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 4,6-dimethyl-2-[[4-phenyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Traditional Name: 2-[[5-(cinnamylthio)-4-phenyl-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C24H23N5S2 MolecularWeight: 445.60292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2C3=CC=CC=C3)SCC=CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2C3=CC=CC=C3)SCC=CC4=CC=CC=C4)C

InChI

InChI=1S/C24H23N5S2/c1-18-16-19(2)26-23(25-18)31-17-22-27-28-24(29(22)21-13-7-4-8-14-21)30-15-9-12-20-10-5-3-6-11-20/h3-14,16H,15,17H2,1-2H3