1-(1,3-benzodioxol-5-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(1-pyrazolylmethyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]thiourea Formula: C18H16N4O2S MolecularWeight: 352.41024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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