3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-ethyl-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-ethyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazole Formula: C17H19BrN4S MolecularWeight: 391.32856

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CC3=CC=CN3C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CC3=CC=CN3C

InChI

InChI=1S/C17H19BrN4S/c1-3-22-16(11-15-5-4-10-21(15)2)19-20-17(22)23-12-13-6-8-14(18)9-7-13/h4-10H,3,11-12H2,1-2H3