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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

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