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

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Openeye Name: 3-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole CAS Name: 3-[(5-chloro-2-methoxyphenyl)methylthio]-5-methyl-1H-1,2,4-triazole IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Traditional Name: 3-[(5-chloro-2-methoxy-benzyl)thio]-5-methyl-1H-1,2,4-triazole Formula: C11H12ClN3OS MolecularWeight: 269.75048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CC1=NC(=NN1)SCC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C11H12ClN3OS/c1-7-13-11(15-14-7)17-6-8-5-9(12)3-4-10(8)16-2/h3-5H,6H2,1-2H3,(H,13,14,15)