3-methyl-5-(3-methylbut-2-enylsulfanyl)-1-phenyl-pyrazole-4-carbaldehyde

Systemtic Name: 3-methyl-5-(3-methylbut-2-enylsulfanyl)-1-phenyl-pyrazole-4-carbaldehyde Openeye Name: 3-methyl-5-(3-methylbut-2-enylsulfanyl)-1-phenyl-pyrazole-4-carbaldehyde CAS Name: 3-methyl-5-(3-methylbut-2-enylthio)-1-phenyl-4-pyrazolecarboxaldehyde IUPAC Name: 3-methyl-5-(3-methylbut-2-enylsulfanyl)-1-phenylpyrazole-4-carbaldehyde Traditional Name: 3-methyl-5-(3-methylbut-2-enylthio)-1-phenyl-pyrazole-4-carbaldehyde Formula: C16H18N2OS MolecularWeight: 286.39192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=O)SCC=C(C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C=O)SCC=C(C)C)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2OS/c1-12(2)9-10-20-16-15(11-19)13(3)17-18(16)14-7-5-4-6-8-14/h4-9,11H,10H2,1-3H3