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

Systemtic Name: 2-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[[4-allyl-5-[(3-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[[5-[(3-bromophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[[4-allyl-5-[(3-bromobenzyl)thio]-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C19H20BrN5S2 MolecularWeight: 462.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C19H20BrN5S2/c1-4-8-25-17(12-26-18-21-13(2)9-14(3)22-18)23-24-19(25)27-11-15-6-5-7-16(20)10-15/h4-7,9-10H,1,8,11-12H2,2-3H3