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

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole Formula: C20H17ClFN5S MolecularWeight: 413.898883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC2=NN=C(N2C)C3=CC=C(C=C3)F)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CSC2=NN=C(N2C)C3=CC=C(C=C3)F)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H17ClFN5S/c1-13-17(18(21)27(25-13)16-6-4-3-5-7-16)12-28-20-24-23-19(26(20)2)14-8-10-15(22)11-9-14/h3-11H,12H2,1-2H3