2-(1,3-benzodioxol-5-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]thiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]thiazole Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C21H18N4O2S2/c1-2-25-19(14-6-4-3-5-7-14)23-24-21(25)29-12-16-11-28-20(22-16)15-8-9-17-18(10-15)27-13-26-17/h3-11H,2,12-13H2,1H3