2-(1,3-benzodioxol-5-yl)-4-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Openeye Name: 4-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(1,3-benzodioxol-5-yl)thiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]thiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Traditional Name: 4-[[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)thio]methyl]-2-(1,3-benzodioxol-5-yl)thiazole Formula: C21H22N4O2S2 MolecularWeight: 426.55498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5CCCC5

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5CCCC5

InChI

InChI=1S/C21H22N4O2S2/c1-2-9-25-19(14-5-3-4-6-14)23-24-21(25)29-12-16-11-28-20(22-16)15-7-8-17-18(10-15)27-13-26-17/h2,7-8,10-11,14H,1,3-6,9,12-13H2