5-(4-methylsulfanylphenyl)-1-[4-(2-oxidanylideneethylamino)phenyl]pyrazole-3-carboxamide

Systemtic Name: 5-(4-methylsulfanylphenyl)-1-[4-(2-oxidanylideneethylamino)phenyl]pyrazole-3-carboxamide Openeye Name: 5-(4-methylsulfanylphenyl)-1-[4-(2-oxoethylamino)phenyl]pyrazole-3-carboxamide CAS Name: 5-[4-(methylthio)phenyl]-1-[4-(2-oxoethylamino)phenyl]-3-pyrazolecarboxamide IUPAC Name: 5-(4-methylsulfanylphenyl)-1-[4-(2-oxoethylamino)phenyl]pyrazole-3-carboxamide Traditional Name: 1-[4-(2-ketoethylamino)phenyl]-5-[4-(methylthio)phenyl]pyrazole-3-carboxamide Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)NCC=O)C(=O)N

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)NCC=O)C(=O)N

InChI

InChI=1S/C19H18N4O2S/c1-26-16-8-2-13(3-9-16)18-12-17(19(20)25)22-23(18)15-6-4-14(5-7-15)21-10-11-24/h2-9,11-12,21H,10H2,1H3,(H2,20,25)