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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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