3-(1,3-benzodioxol-5-yl)-5-(cyclohexylmethylsulfanyl)-4-ethyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-(cyclohexylmethylsulfanyl)-4-ethyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-(cyclohexylmethylsulfanyl)-4-ethyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(cyclohexylmethylthio)-4-ethyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-(cyclohexylmethylsulfanyl)-4-ethyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-(cyclohexylmethylthio)-4-ethyl-1,2,4-triazole Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2CCCCC2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=NN=C1SCC2CCCCC2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H23N3O2S/c1-2-21-17(14-8-9-15-16(10-14)23-12-22-15)19-20-18(21)24-11-13-6-4-3-5-7-13/h8-10,13H,2-7,11-12H2,1H3