1-(1,3-benzodioxol-5-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[(1,3,5-trimethyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CNC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C(=NN1C)C)CNC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H18N4O2S/c1-9-12(10(2)19(3)18-9)7-16-15(22)17-11-4-5-13-14(6-11)21-8-20-13/h4-6H,7-8H2,1-3H3,(H2,16,17,22)