5-chloranyl-3-methyl-1-phenyl-N-[3-(thiophen-2-ylcarbonylamino)phenyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-1-phenyl-N-[3-(thiophen-2-ylcarbonylamino)phenyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-N-[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-3-methyl-1-phenyl-N-[3-(2-thenoylamino)phenyl]pyrazole-4-carboxamide Formula: C22H17ClN4O2S MolecularWeight: 436.91398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CS3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CS3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H17ClN4O2S/c1-14-19(20(23)27(26-14)17-9-3-2-4-10-17)22(29)25-16-8-5-7-15(13-16)24-21(28)18-11-6-12-30-18/h2-13H,1H3,(H,24,28)(H,25,29)