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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(3-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(4-methoxyphenyl)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(3-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-[(3-bromobenzyl)thio]-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C23H20BrN3OS MolecularWeight: 466.3934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H20BrN3OS/c1-28-21-12-10-19(11-13-21)22-25-26-23(27(22)15-17-6-3-2-4-7-17)29-16-18-8-5-9-20(24)14-18/h2-14H,15-16H2,1H3