1-phenyl-3-(4-propylsulfanylphenyl)pyrazole-4-carbaldehyde

Systemtic Name: 1-phenyl-3-(4-propylsulfanylphenyl)pyrazole-4-carbaldehyde Openeye Name: 1-phenyl-3-(4-propylsulfanylphenyl)pyrazole-4-carbaldehyde CAS Name: 1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolecarboxaldehyde IUPAC Name: 1-phenyl-3-(4-propylsulfanylphenyl)pyrazole-4-carbaldehyde Traditional Name: 1-phenyl-3-[4-(propylthio)phenyl]pyrazole-4-carbaldehyde Formula: C19H18N2OS MolecularWeight: 322.42402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=O)C3=CC=CC=C3

Isomeric SMILES

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2OS/c1-2-12-23-18-10-8-15(9-11-18)19-16(14-22)13-21(20-19)17-6-4-3-5-7-17/h3-11,13-14H,2,12H2,1H3