N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C22H17ClN4O3S MolecularWeight: 452.91338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4)Cl)CC5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C22H17ClN4O3S/c1-13-19(20(23)27(26-13)10-14-5-3-2-4-6-14)21(28)25-22-24-16(11-31-22)15-7-8-17-18(9-15)30-12-29-17/h2-9,11H,10,12H2,1H3,(H,24,25,28)