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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(1-methylpyrazol-3-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[(1-methylpyrazol-3-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[(1-methyl-3-pyrazolyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[(1-methylpyrazol-3-yl)methyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[(1-methylpyrazol-3-yl)methyl]thiourea Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)CNC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C=CC(=N1)CNC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H14N4O2S/c1-17-5-4-10(16-17)7-14-13(20)15-9-2-3-11-12(6-9)19-8-18-11/h2-6H,7-8H2,1H3,(H2,14,15,20)