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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Openeye Name: 4-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(1,3-benzodioxol-5-yl)thiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]thiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Traditional Name: 4-[[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-2-(1,3-benzodioxol-5-yl)thiazole Formula: C20H16N4O2S3 MolecularWeight: 440.56164

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CS5

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CS5

InChI

InChI=1S/C20H16N4O2S3/c1-2-7-24-18(17-4-3-8-27-17)22-23-20(24)29-11-14-10-28-19(21-14)13-5-6-15-16(9-13)26-12-25-15/h2-6,8-10H,1,7,11-12H2