3-(4-bromophenyl)-5-(oxolan-2-ylmethylsulfanyl)-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-(4-bromophenyl)-5-(oxolan-2-ylmethylsulfanyl)-4-phenethyl-1,2,4-triazole Openeye Name: 3-(4-bromophenyl)-4-phenethyl-5-(tetrahydrofuran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-5-(2-oxolanylmethylthio)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-5-(oxolan-2-ylmethylsulfanyl)-4-phenethyl-1,2,4-triazole Traditional Name: 3-(4-bromophenyl)-4-phenethyl-5-(tetrahydrofurfurylthio)-1,2,4-triazole Formula: C21H22BrN3OS MolecularWeight: 444.38788

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(OC1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrN3OS/c22-18-10-8-17(9-11-18)20-23-24-21(27-15-19-7-4-14-26-19)25(20)13-12-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2