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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-[(2-phenoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-3-[(2-phenoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(5-chloro-2-methoxyphenyl)-3-[(2-phenoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-3-[(2-phenoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-3-[(2-phenoxybenzyl)thio]-1H-1,2,4-triazole Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3O2S/c1-27-20-12-11-16(23)13-18(20)21-24-22(26-25-21)29-14-15-7-5-6-10-19(15)28-17-8-3-2-4-9-17/h2-13H,14H2,1H3,(H,24,25,26)