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

Systemtic Name: 3-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole Openeye Name: 3-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole CAS Name: 3-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methylthio]-5-cyclopropyl-4-methyl-1,2,4-triazole IUPAC Name: 3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole Traditional Name: 3-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylthio]-5-cyclopropyl-4-methyl-1,2,4-triazole Formula: C22H20ClN5S MolecularWeight: 421.9457

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5CC5

Isomeric SMILES

CN1C(=NN=C1SCC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C22H20ClN5S/c1-27-21(16-7-8-16)24-25-22(27)29-14-17-13-28(19-5-3-2-4-6-19)26-20(17)15-9-11-18(23)12-10-15/h2-6,9-13,16H,7-8,14H2,1H3