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

Systemtic Name: 4-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-2,6-dimethyl-pyrimidine Openeye Name: 4-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2,6-dimethyl-pyrimidine CAS Name: 4-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-2,6-dimethylpyrimidine IUPAC Name: 4-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-2,6-dimethylpyrimidine Traditional Name: 4-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-2,6-dimethyl-pyrimidine Formula: C20H17ClN6S MolecularWeight: 408.90718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN6S/c1-12-11-18(24-14(3)23-12)28-20-26-25-19(15-7-9-22-10-8-15)27(20)17-6-4-5-16(21)13(17)2/h4-11H,1-3H3