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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[(2-chlorophenyl)methylthio]-4-ethyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[(2-chlorobenzyl)thio]-4-ethyl-1,2,4-triazole Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16ClN3O2S/c1-2-22-17(12-7-8-15-16(9-12)24-11-23-15)20-21-18(22)25-10-13-5-3-4-6-14(13)19/h3-9H,2,10-11H2,1H3