1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dimethylpyrazol-4-yl)thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dimethylpyrazol-4-yl)thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dimethylpyrazol-4-yl)thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dimethyl-4-pyrazolyl)thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dimethylpyrazol-4-yl)thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dimethylpyrazol-4-yl)thiourea Formula: C14H16N4O2S MolecularWeight: 304.36744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1NC(=S)NC2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=NN(C=C1NC(=S)NC2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C14H16N4O2S/c1-9-11(8-18(2)17-9)16-14(21)15-10-3-4-12-13(7-10)20-6-5-19-12/h3-4,7-8H,5-6H2,1-2H3,(H2,15,16,21)