2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl carbamate

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl carbamate Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl carbamate CAS Name: carbamic acid 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]ethyl ester IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl carbamate Traditional Name: carbamic acid 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]ethyl ester Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC(=O)N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C(=NN=C1SCCOC(=O)N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H14N4O4S/c1-17-11(8-2-3-9-10(6-8)21-7-20-9)15-16-13(17)22-5-4-19-12(14)18/h2-3,6H,4-5,7H2,1H3,(H2,14,18)