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

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-5-phenyl-1H-1,2,4-triazole Formula: C19H16ClN5S MolecularWeight: 381.88184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5S/c1-13-16(17(20)25(24-13)15-10-6-3-7-11-15)12-26-19-21-18(22-23-19)14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,21,22,23)