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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-[(4-methylsulfanylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-3-[(4-methylsulfanylphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(5-chloro-2-methoxyphenyl)-3-[[4-(methylthio)phenyl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-3-[(4-methylsulfanylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-3-[[4-(methylthio)benzyl]thio]-1H-1,2,4-triazole Formula: C17H16ClN3OS2 MolecularWeight: 377.91144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC3=CC=C(C=C3)SC

InChI

InChI=1S/C17H16ClN3OS2/c1-22-15-8-5-12(18)9-14(15)16-19-17(21-20-16)24-10-11-3-6-13(23-2)7-4-11/h3-9H,10H2,1-2H3,(H,19,20,21)