5-(5-chloranyl-2-methoxy-phenyl)-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-3-isobutylsulfanyl-1H-1,2,4-triazole CAS Name: 5-(5-chloro-2-methoxyphenyl)-3-(2-methylpropylthio)-1H-1,2,4-triazole IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-3-(isobutylthio)-1H-1,2,4-triazole Formula: C13H16ClN3OS MolecularWeight: 297.80364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CC(C)CSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C13H16ClN3OS/c1-8(2)7-19-13-15-12(16-17-13)10-6-9(14)4-5-11(10)18-3/h4-6,8H,7H2,1-3H3,(H,15,16,17)