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

Systemtic Name: 5-(4-methylsulfanylphenyl)-1-[4-(2-oxidanylideneethylamino)phenyl]pyrazole-3-carbonitrile Openeye Name: 5-(4-methylsulfanylphenyl)-1-[4-(2-oxoethylamino)phenyl]pyrazole-3-carbonitrile CAS Name: 5-[4-(methylthio)phenyl]-1-[4-(2-oxoethylamino)phenyl]-3-pyrazolecarbonitrile IUPAC Name: 5-(4-methylsulfanylphenyl)-1-[4-(2-oxoethylamino)phenyl]pyrazole-3-carbonitrile Traditional Name: 1-[4-(2-ketoethylamino)phenyl]-5-[4-(methylthio)phenyl]pyrazole-3-carbonitrile Formula: C19H16N4OS MolecularWeight: 348.42154

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4OS/c1-25-18-8-2-14(3-9-18)19-12-16(13-20)22-23(19)17-6-4-15(5-7-17)21-10-11-24/h2-9,11-12,21H,10H2,1H3