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

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Formula: C20H18ClN5OS MolecularWeight: 411.90782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC2=NNC(=N2)C3=CC=C(C=C3)OC)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CSC2=NNC(=N2)C3=CC=C(C=C3)OC)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H18ClN5OS/c1-13-17(18(21)26(25-13)15-6-4-3-5-7-15)12-28-20-22-19(23-24-20)14-8-10-16(27-2)11-9-14/h3-11H,12H2,1-2H3,(H,22,23,24)