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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]thiourea Formula: C19H17ClN4O2S MolecularWeight: 400.88188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17ClN4O2S/c1-12-8-18(23-24(12)10-13-2-4-14(20)5-3-13)22-19(27)21-15-6-7-16-17(9-15)26-11-25-16/h2-9H,10-11H2,1H3,(H2,21,22,23,27)