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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-phenethyl-5-(2-thenyl)-1,2,4-triazole Formula: C22H20BrN3S2 MolecularWeight: 470.4483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=C(C=C3)Br)CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=C(C=C3)Br)CC4=CC=CS4

InChI

InChI=1S/C22H20BrN3S2/c23-19-10-8-18(9-11-19)16-28-22-25-24-21(15-20-7-4-14-27-20)26(22)13-12-17-5-2-1-3-6-17/h1-11,14H,12-13,15-16H2