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

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(5-chloro-2-methoxyphenyl)methylthio]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(5-chloro-2-methoxy-benzyl)thio]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole Formula: C23H20ClN3O2S MolecularWeight: 437.9418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4

InChI

InChI=1S/C23H20ClN3O2S/c1-28-21-13-12-18(24)14-17(21)16-30-23-26-25-22(15-29-20-10-6-3-7-11-20)27(23)19-8-4-2-5-9-19/h2-14H,15-16H2,1H3