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

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-methyl-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-5-methyl-4-(p-tolyl)-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/c1-14-9-11-17(12-10-14)26-16(3)23-24-21(26)28-13-19-15(2)25-27(20(19)22)18-7-5-4-6-8-18/h4-12H,13H2,1-3H3