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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-(cyclohexylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-3-(cyclohexylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-(5-chloro-2-methoxyphenyl)-3-(cyclohexylmethylthio)-1H-1,2,4-triazole IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-3-(cyclohexylmethylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-3-(cyclohexylmethylthio)-1H-1,2,4-triazole Formula: C16H20ClN3OS MolecularWeight: 337.8675

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC3CCCCC3

InChI

InChI=1S/C16H20ClN3OS/c1-21-14-8-7-12(17)9-13(14)15-18-16(20-19-15)22-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,18,19,20)