3-[(3-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole Formula: C24H22BrN3OS MolecularWeight: 480.41998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H22BrN3OS/c1-29-22-12-10-20(11-13-22)23-26-27-24(30-17-19-8-5-9-21(25)16-19)28(23)15-14-18-6-3-2-4-7-18/h2-13,16H,14-15,17H2,1H3