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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[(1-methyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea Formula: C13H14N4O2S MolecularWeight: 290.34086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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