3-[(4-bromophenyl)sulfanylmethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-bromophenyl)sulfanylmethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-bromophenyl)sulfanylmethyl]-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[[(4-bromophenyl)thio]methyl]-4-(2-oxolanylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-bromophenyl)sulfanylmethyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[[(4-bromophenyl)thio]methyl]-4-(tetrahydrofurfuryl)-1H-1,2,4-triazole-5-thione Formula: C14H16BrN3OS2 MolecularWeight: 386.33034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NNC2=S)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC(OC1)CN2C(=NNC2=S)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C14H16BrN3OS2/c15-10-3-5-12(6-4-10)21-9-13-16-17-14(20)18(13)8-11-2-1-7-19-11/h3-6,11H,1-2,7-9H2,(H,17,20)