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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole Formula: C26H26BrN3OS MolecularWeight: 508.47314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC(=CC=C4)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C26H26BrN3OS/c1-26(2,3)20-10-8-19(9-11-20)24-28-29-25(32-17-18-6-5-7-21(27)16-18)30(24)22-12-14-23(31-4)15-13-22/h5-16H,17H2,1-4H3