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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-[(2,5-dimethylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-3-[(2,5-dimethylphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-3-[(2,5-dimethylbenzyl)thio]-1H-1,2,4-triazole Formula: C18H18ClN3OS MolecularWeight: 359.87302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3OS/c1-11-4-5-12(2)13(8-11)10-24-18-20-17(21-22-18)15-9-14(19)6-7-16(15)23-3/h4-9H,10H2,1-3H3,(H,20,21,22)