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

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-4-isopropyl-1,2,4-triazole CAS Name: 3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-4-isopropyl-1,2,4-triazole Formula: C16H18ClN5S MolecularWeight: 347.86562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC2=NN=CN2C(C)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1CSC2=NN=CN2C(C)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H18ClN5S/c1-11(2)21-10-18-19-16(21)23-9-14-12(3)20-22(15(14)17)13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3