1-(1,3-benzodioxol-5-yl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[1-(2-chlorobenzyl)pyrazol-4-yl]thiourea Formula: C18H15ClN4O2S MolecularWeight: 386.8553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CN(N=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CN(N=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C18H15ClN4O2S/c19-15-4-2-1-3-12(15)9-23-10-14(8-20-23)22-18(26)21-13-5-6-16-17(7-13)25-11-24-16/h1-8,10H,9,11H2,(H2,21,22,26)