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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-[(3-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-3-(m-tolylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-(5-chloro-2-methoxyphenyl)-3-[(3-methylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-3-[(3-methylbenzyl)thio]-1H-1,2,4-triazole Formula: C17H16ClN3OS MolecularWeight: 345.84644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C17H16ClN3OS/c1-11-4-3-5-12(8-11)10-23-17-19-16(20-21-17)14-9-13(18)6-7-15(14)22-2/h3-9H,10H2,1-2H3,(H,19,20,21)