3-[(4-bromophenyl)methylsulfanyl]-4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-isopropyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-isopropyl-5-(2-thienyl)-1,2,4-triazole Formula: C16H16BrN3S2 MolecularWeight: 394.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=CS3

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=CS3

InChI

InChI=1S/C16H16BrN3S2/c1-11(2)20-15(14-4-3-9-21-14)18-19-16(20)22-10-12-5-7-13(17)8-6-12/h3-9,11H,10H2,1-2H3