2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C18H14N4O2S2 MolecularWeight: 382.45936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C18H14N4O2S2/c1-22-17(11-6-7-13-14(8-11)24-10-23-13)20-21-18(22)25-9-16-19-12-4-2-3-5-15(12)26-16/h2-8H,9-10H2,1H3