3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-4-(2,4-dimethylphenyl)-1,2,4-triazole

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-4-(2,4-dimethylphenyl)-1,2,4-triazole Openeye Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-4-(2,4-dimethylphenyl)-1,2,4-triazole CAS Name: 3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-4-(2,4-dimethylphenyl)-1,2,4-triazole IUPAC Name: 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-4-(2,4-dimethylphenyl)-1,2,4-triazole Traditional Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-4-(2,4-dimethylphenyl)-1,2,4-triazole Formula: C21H20ClN5S MolecularWeight: 409.935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=NN=C2SCC3=C(N(N=C3C)C4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NN=C2SCC3=C(N(N=C3C)C4=CC=CC=C4)Cl)C

InChI

InChI=1S/C21H20ClN5S/c1-14-9-10-19(15(2)11-14)26-13-23-24-21(26)28-12-18-16(3)25-27(20(18)22)17-7-5-4-6-8-17/h4-11,13H,12H2,1-3H3