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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(2-thienyl)-1H-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-thiophen-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-(2-thienyl)-1H-1,2,4-triazole Formula: C13H10BrN3S2 MolecularWeight: 352.2726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C13H10BrN3S2/c14-10-4-1-3-9(7-10)8-19-13-15-12(16-17-13)11-5-2-6-18-11/h1-7H,8H2,(H,15,16,17)