3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-5-[2-(4-propan-2-yloxyphenyl)ethyl]-1,2,4-triazole

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-5-[2-(4-propan-2-yloxyphenyl)ethyl]-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-[2-(4-isopropoxyphenyl)ethyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-4-phenyl-5-[2-(4-propan-2-yloxyphenyl)ethyl]-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-phenyl-5-[2-(4-propan-2-yloxyphenyl)ethyl]-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-[2-(4-isopropoxyphenyl)ethyl]-4-phenyl-1,2,4-triazole Formula: C27H28BrN3O2S MolecularWeight: 538.49912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C27H28BrN3O2S/c1-19(2)33-23-13-9-20(10-14-23)12-16-26-29-30-27(31(26)22-7-5-4-6-8-22)34-18-21-11-15-25(32-3)24(28)17-21/h4-11,13-15,17,19H,12,16,18H2,1-3H3