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

Systemtic Name: 4,6-dimethyl-2-[[5-(3-phenylprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Openeye Name: 2-[(4-allyl-5-cinnamylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 4,6-dimethyl-2-[[5-(3-phenylprop-2-enylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 4,6-dimethyl-2-[[5-(3-phenylprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Traditional Name: 2-[[4-allyl-5-(cinnamylthio)-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C21H23N5S2 MolecularWeight: 409.57082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC=CC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N5S2/c1-4-12-26-19(15-28-20-22-16(2)14-17(3)23-20)24-25-21(26)27-13-8-11-18-9-6-5-7-10-18/h4-11,14H,1,12-13,15H2,2-3H3