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

Systemtic Name: 3-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole CAS Name: 3-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methylthio]-5-cyclopropyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylthio]-5-cyclopropyl-4-phenyl-1,2,4-triazole Formula: C27H22ClN5S MolecularWeight: 484.01508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CN(N=C4C5=CC=C(C=C5)Cl)C6=CC=CC=C6

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CN(N=C4C5=CC=C(C=C5)Cl)C6=CC=CC=C6

InChI

InChI=1S/C27H22ClN5S/c28-22-15-13-19(14-16-22)25-21(17-32(31-25)23-7-3-1-4-8-23)18-34-27-30-29-26(20-11-12-20)33(27)24-9-5-2-6-10-24/h1-10,13-17,20H,11-12,18H2