2-[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)ethanone CAS Name: 2-[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone IUPAC Name: 2-[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone Traditional Name: 2-[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)ethanone Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=CC=CC=C2O1)C3=NN=C(N3C)SCC(=O)C4=CC=CS4

Isomeric SMILES

C[C@]1(COC2=CC=CC=C2O1)C3=NN=C(N3C)SCC(=O)C4=CC=CS4

InChI

InChI=1S/C18H17N3O3S2/c1-18(11-23-13-6-3-4-7-14(13)24-18)16-19-20-17(21(16)2)26-10-12(22)15-8-5-9-25-15/h3-9H,10-11H2,1-2H3/t18-/m0/s1