4-(4-chlorophenyl)-3-(2-ethyl-5-methyl-pyrazol-3-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(4-chlorophenyl)-3-(2-ethyl-5-methyl-pyrazol-3-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-(4-chlorophenyl)-5-(2-ethyl-5-methyl-pyrazol-3-yl)-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-(2-ethyl-5-methyl-3-pyrazolyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-(4-chlorophenyl)-5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-(4-chlorophenyl)-5-(2-ethyl-5-methyl-pyrazol-3-yl)-1,2,4-triazole Formula: C21H20ClN5S MolecularWeight: 409.935

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=CC=C4

Isomeric SMILES

CCN1C(=CC(=N1)C)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=CC=C4

InChI

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