O-[(2-chlorophenyl)methyl] N-(1,3-diphenylpyrazol-4-yl)carbamothioate

Systemtic Name: O-[(2-chlorophenyl)methyl] N-(1,3-diphenylpyrazol-4-yl)carbamothioate Openeye Name: O-[(2-chlorophenyl)methyl] N-(1,3-diphenylpyrazol-4-yl)carbamothioate CAS Name: N-(1,3-diphenyl-4-pyrazolyl)carbamothioic acid O-[(2-chlorophenyl)methyl] ester IUPAC Name: O-[(2-chlorophenyl)methyl] N-(1,3-diphenylpyrazol-4-yl)carbamothioate Traditional Name: N-(1,3-diphenylpyrazol-4-yl)thiocarbamic acid O-(2-chlorobenzyl) ester Formula: C23H18ClN3OS MolecularWeight: 419.92652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2NC(=S)OCC3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2NC(=S)OCC3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H18ClN3OS/c24-20-14-8-7-11-18(20)16-28-23(29)25-21-15-27(19-12-5-2-6-13-19)26-22(21)17-9-3-1-4-10-17/h1-15H,16H2,(H,25,29)