1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1-methyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=S)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN1C=C(C=N1)CNC(=S)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C14H16N4O2S/c1-18-9-10(8-16-18)7-15-14(21)17-11-2-3-12-13(6-11)20-5-4-19-12/h2-3,6,8-9H,4-5,7H2,1H3,(H2,15,17,21)