1-(1,3-benzodioxol-5-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(1-pyrazolylmethyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=CC(=C3)CN4C=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=CC(=C3)CN4C=CC=N4

InChI

InChI=1S/C18H16N4O2S/c25-18(21-15-5-6-16-17(10-15)24-12-23-16)20-14-4-1-3-13(9-14)11-22-8-2-7-19-22/h1-10H,11-12H2,(H2,20,21,25)