1-(1,3-benzodioxol-5-yl)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(1-ethyl-3,5-dimethyl-4-pyrazolyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiourea Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)NC(=S)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)NC(=S)NC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C15H18N4O2S/c1-4-19-10(3)14(9(2)18-19)17-15(22)16-11-5-6-12-13(7-11)21-8-20-12/h5-7H,4,8H2,1-3H3,(H2,16,17,22)