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

Systemtic Name: 4,6-dimethyl-2-[[5-(1-phenylethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Openeye Name: 2-[[4-allyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 4,6-dimethyl-2-[[5-(1-phenylethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 4,6-dimethyl-2-[[5-(1-phenylethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Traditional Name: 2-[[4-allyl-5-(1-phenylethylthio)-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:

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

Isomeric SMILES

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

InChI

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