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

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Openeye Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole CAS Name: 3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-5-methyl-1H-1,2,4-triazole IUPAC Name: 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Traditional Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-5-methyl-1H-1,2,4-triazole Formula: C14H14ClN5S MolecularWeight: 319.81246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN5S/c1-9-12(8-21-14-16-10(2)17-18-14)13(15)20(19-9)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,17,18)