3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-4-ethyl-5-(1-ethyl-3-pyrazolyl)-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazole Formula: C16H18ClN5S MolecularWeight: 347.86562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C2=NN=C(N2CC)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C=CC(=N1)C2=NN=C(N2CC)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN5S/c1-3-21-10-9-14(20-21)15-18-19-16(22(15)4-2)23-11-12-5-7-13(17)8-6-12/h5-10H,3-4,11H2,1-2H3