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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-bromophenyl)methylthio]-4-ethyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-bromobenzyl)thio]-4-ethyl-1,2,4-triazole Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16BrN3O2S/c1-2-22-17(13-5-8-15-16(9-13)24-11-23-15)20-21-18(22)25-10-12-3-6-14(19)7-4-12/h3-9H,2,10-11H2,1H3