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

Systemtic Name: 3-[(2-bromophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(2-bromophenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(2-bromophenyl)methylthio]-4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(2-bromophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(2-bromobenzyl)thio]-4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazole Formula: C18H18BrN3OS2 MolecularWeight: 436.38902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC3=CC=CC=C3Br)C4=CC=CS4

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC3=CC=CC=C3Br)C4=CC=CS4

InChI

InChI=1S/C18H18BrN3OS2/c19-15-7-2-1-5-13(15)12-25-18-21-20-17(16-8-4-10-24-16)22(18)11-14-6-3-9-23-14/h1-2,4-5,7-8,10,14H,3,6,9,11-12H2