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

Systemtic Name: 3-(5-chloranyl-2-methoxy-phenyl)-5-methylsulfanyl-4-(4-phenoxyphenyl)-1,2,4-triazole Openeye Name: 3-(5-chloro-2-methoxy-phenyl)-5-methylsulfanyl-4-(4-phenoxyphenyl)-1,2,4-triazole CAS Name: 3-(5-chloro-2-methoxyphenyl)-5-(methylthio)-4-(4-phenoxyphenyl)-1,2,4-triazole IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-5-methylsulfanyl-4-(4-phenoxyphenyl)-1,2,4-triazole Traditional Name: 3-(5-chloro-2-methoxy-phenyl)-5-(methylthio)-4-(4-phenoxyphenyl)-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=NN=C(N2C3=CC=C(C=C3)OC4=CC=CC=C4)SC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NN=C(N2C3=CC=C(C=C3)OC4=CC=CC=C4)SC

InChI

InChI=1S/C22H18ClN3O2S/c1-27-20-13-8-15(23)14-19(20)21-24-25-22(29-2)26(21)16-9-11-18(12-10-16)28-17-6-4-3-5-7-17/h3-14H,1-2H3