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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Openeye Name: 4-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(1,3-benzodioxol-5-yl)thiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]thiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Traditional Name: 4-[[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-2-(1,3-benzodioxol-5-yl)thiazole Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5CC5

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5CC5

InChI

InChI=1S/C19H18N4O2S2/c1-2-7-23-17(12-3-4-12)21-22-19(23)27-10-14-9-26-18(20-14)13-5-6-15-16(8-13)25-11-24-15/h2,5-6,8-9,12H,1,3-4,7,10-11H2