5-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole Openeye Name: 5-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-isoxazole CAS Name: 5-[[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-3-methylisoxazole IUPAC Name: 5-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole Traditional Name: 5-[[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-isoxazole Formula: C21H19BrN4OS MolecularWeight: 455.37076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=NOC(=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H19BrN4OS/c1-15-13-19(27-25-15)14-28-21-24-23-20(17-7-9-18(22)10-8-17)26(21)12-11-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3