4-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,6-dimethyl-pyrimidine

Systemtic Name: 4-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,6-dimethyl-pyrimidine Openeye Name: 4-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2,6-dimethyl-pyrimidine CAS Name: 4-[[4-(4-bromophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2,6-dimethylpyrimidine IUPAC Name: 4-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,6-dimethylpyrimidine Traditional Name: 4-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-2,6-dimethyl-pyrimidine Formula: C19H15BrN6S MolecularWeight: 439.3316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)C)SC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C19H15BrN6S/c1-12-10-17(23-13(2)22-12)27-19-25-24-18(14-4-3-9-21-11-14)26(19)16-7-5-15(20)6-8-16/h3-11H,1-2H3