5-azanyl-3-tert-butyl-1-phenyl-pyrazole-4-carbothialdehyde

Systemtic Name: 5-azanyl-3-tert-butyl-1-phenyl-pyrazole-4-carbothialdehyde Openeye Name: 5-amino-3-tert-butyl-1-phenyl-pyrazole-4-carbothialdehyde CAS Name: 5-amino-3-tert-butyl-1-phenyl-4-pyrazolecarbothioaldehyde IUPAC Name: 5-amino-3-tert-butyl-1-phenylpyrazole-4-carbothialdehyde Traditional Name: 5-amino-3-tert-butyl-1-phenyl-pyrazole-4-carbothialdehyde Formula: C14H17N3S MolecularWeight: 259.36988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1C=S)N)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1C=S)N)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3S/c1-14(2,3)12-11(9-18)13(15)17(16-12)10-7-5-4-6-8-10/h4-9H,15H2,1-3H3