3-(4-bromophenyl)-5-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-(4-bromophenyl)-5-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Openeye Name: 3-(4-bromophenyl)-5-[(5-chloro-1-methyl-imidazol-2-yl)methylsulfanyl]-4-phenethyl-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-5-[(5-chloro-1-methyl-2-imidazolyl)methylthio]-4-phenethyl-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Traditional Name: 3-(4-bromophenyl)-5-[(5-chloro-1-methyl-imidazol-2-yl)methylthio]-4-phenethyl-1,2,4-triazole Formula: C21H19BrClN5S MolecularWeight: 488.83106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

CN1C(=CN=C1CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C21H19BrClN5S/c1-27-18(23)13-24-19(27)14-29-21-26-25-20(16-7-9-17(22)10-8-16)28(21)12-11-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3